tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene

C184H213Cl5F5N11O17S — CID 157320059

About tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene

tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene (PubChem CID 157320059) has the molecular formula C184H213Cl5F5N11O17S and a molecular weight of 3155.11 g/mol. Its IUPAC name is tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene.

Molecular Properties

• Compound Name: tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene
• PubChem CID: 157320059
• Molecular Formula: C184H213Cl5F5N11O17S
• Molecular Weight: 3155.11 g/mol
• Exact Mass: 3150.42
• IUPAC Name: tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene
• SMILES: CC(=O)Nc1ccc(C)cc1.CCc1[nH]nc2cc(C)ccc12.COc1cc(C)cc(Cl)c1.COc1cc(C)cc(F)c1.COc1cc(C)ccc1Cl.COc1cc(C)ccc1F.COc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccc(Cl)c(C)c1.COc1cccc(C)c1.Cc1cc(F)c(O)c(F)c1.Cc1cc(O)ccc1Cl.Cc1ccc(C)c(C)c1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(Cl)c(O)c1.Cc1ccc(N)cc1.Cc1ccc(O)c(O)c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(c1)CCO2.Cc1ccc2n[nH]c(C)c2c1.Cc1ccc2nc(C)[nH]c2c1
• InChI: InChI=1S/C11H17NO2S.C10H12N2.C10H11N.2C9H10N2.C9H11NO.C9H9N.C9H10O.C9H12.3C8H9ClO.3C8H9FO.2C8H10O.2C7H7ClO.C7H6F2O.C7H9N.C7H8O2/c1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;1-3-9-8-5-4-7(2)6-10(8)12-11-9;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-3-5-9(6-4-7)10-8(2)11;2*1-7-2-3-9-8(6-7)4-5-10-9;1-7-4-5-8(2)9(3)6-7;1-6-3-7(9)5-8(4-6)10-2;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-6-3-7(9)5-8(4-6)10-2;1-6-3-4-7(9)5-8(6)10-2;1-6-3-4-7(9)8(5-6)10-2;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-5-4-6(9)2-3-7(5)8;1-5-2-3-6(8)7(9)4-5;1-4-2-5(8)7(10)6(9)3-4;1-6-2-4-7(8)5-3-6;1-5-2-3-6(8)7(9)4-5/h5-6H,7H2,1-4H3,(H,12,13);4-6H,3H2,1-2H3,(H,11,12);3-6,11H,1-2H3;2*3-5H,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11);2-6,10H,1H3;2-3,6H,4-5H2,1H3;4-6H,1-3H3;6*3-5H,1-2H3;2*3-6H,1-2H3;2*2-4,9H,1H3;2-3,10H,1H3;2-5H,8H2,1H3;2-4,8-9H,1H3
• InChIKey: BEBBBJHZZPBICM-UHFFFAOYSA-N
• XLogP: 49.71
• TPSA: 395.29 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3155.11
LogP ≤ 5	49.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene?

The IUPAC name of tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene (CID 157320059) is tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene.

What is the SMILES notation for tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene?

The canonical SMILES for tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene is CC(=O)Nc1ccc(C)cc1.CCc1[nH]nc2cc(C)ccc12.COc1cc(C)cc(Cl)c1.COc1cc(C)cc(F)c1.COc1cc(C)ccc1Cl.COc1cc(C)ccc1F.COc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccc(Cl)c(C)c1.COc1cccc(C)c1.Cc1cc(F)c(O)c(F)c1.Cc1cc(O)ccc1Cl.Cc1ccc(C)c(C)c1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(Cl)c(O)c1.Cc1ccc(N)cc1.Cc1ccc(O)c(O)c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(c1)CCO2.Cc1ccc2n[nH]c(C)c2c1.Cc1ccc2nc(C)[nH]c2c1.

What is the InChIKey of tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene?

The InChIKey is BEBBBJHZZPBICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.C10H12N2.C10H11N.2C9H10N2.C9H11NO.C9H9N.C9H10O.C9H12.3C8H9ClO.3C8H9FO.2C8H10O.2C7H7ClO.C7H6F2O.C7H9N.C7H8O2/c1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;1-3-9-8-5-4-7(2)6-10(8)12-11-9;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-3-5-9(6-4-7)10-8(2)11;2*1-7-2-3-9-8(6-7)4-5-10-9;1-7-4-5-8(2)9(3)6-7;1-6-3-7(9)5-8(4-6)10-2;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-6-3-7(9)5-8(4-6)10-2;1-6-3-4-7(9)5-8(6)10-2;1-6-3-4-7(9)8(5-6)10-2;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-5-4-6(9)2-3-7(5)8;1-5-2-3-6(8)7(9)4-5;1-4-2-5(8)7(10)6(9)3-4;1-6-2-4-7(8)5-3-6;1-5-2-3-6(8)7(9)4-5/h5-6H,7H2,1-4H3,(H,12,13);4-6H,3H2,1-2H3,(H,11,12);3-6,11H,1-2H3;2*3-5H,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11);2-6,10H,1H3;2-3,6H,4-5H2,1H3;4-6H,1-3H3;6*3-5H,1-2H3;2*3-6H,1-2H3;2*2-4,9H,1H3;2-3,10H,1H3;2-5H,8H2,1H3;2-4,8-9H,1H3.

What are the key properties of tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene?

tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene has a molecular weight of 3155.11 g/mol, XLogP of 49.71, 12 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methoxy-5-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-indole;3-ethyl-6-methyl-2H-indazole;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;N-(4-methylphenyl)acetamide;1,2,4-trimethylbenzene is sourced from PubChem (CID 157320059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).