[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate

C109H152N16O18S6 — CID 158856786

About [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate

[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 158856786) has the molecular formula C109H152N16O18S6 and a molecular weight of 2166.91 g/mol. Its IUPAC name is [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate
• PubChem CID: 158856786
• Molecular Formula: C109H152N16O18S6
• Molecular Weight: 2166.91 g/mol
• Exact Mass: 2164.98
• IUPAC Name: [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate
• SMILES: C.C.C.CCCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)cc(C(C)(C)C)n1C.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)NCCc1cccn1C.Cc1csc(NC(=O)Nc2cc(C(C)(C)C)sc2COC=O)c1
• InChI: InChI=1S/C19H25N3O3.2C18H25N3O3S.C18H22N2O3S.C17H23N3O3S.C16H20N2O3S2.3CH4/c1-12-7-9-13(10-8-12)20-18(24)21-14-11-15(19(2,3)4)22(5)16(14)17(23)25-6;1-18(2,3)14-11-13(15(25-14)16(22)24-5)20-17(23)19-9-8-12-7-6-10-21(12)4;1-6-8-21-9-7-12(11-21)19-17(23)20-13-10-14(18(2,3)4)25-15(13)16(22)24-5;1-11-6-8-12(9-7-11)19-17(22)20-15-13(16(21)23-5)10-14(24-15)18(2,3)4;1-6-20-8-7-11(10-20)18-16(22)19-12-9-13(17(2,3)4)24-14(12)15(21)23-5;1-10-5-14(22-8-10)18-15(20)17-11-6-13(16(2,3)4)23-12(11)7-21-9-19;;;/h7-11H,1-6H3,(H2,20,21,24);6-7,10-11H,8-9H2,1-5H3,(H2,19,20,23);7,9-11H,6,8H2,1-5H3,(H2,19,20,23);6-10H,1-5H3,(H2,19,20,22);7-10H,6H2,1-5H3,(H2,18,19,22);5-6,8-9H,7H2,1-4H3,(H2,17,18,20);3*1H4
• InChIKey: JADRDQCQSXURFD-UHFFFAOYSA-N
• XLogP: 28.01
• TPSA: 424.30 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.91
LogP ≤ 5	28.01
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate?

The IUPAC name of [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate (CID 158856786) is [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate.

What is the SMILES notation for [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate?

The canonical SMILES for [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate is C.C.C.CCCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)cc(C(C)(C)C)n1C.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)NCCc1cccn1C.Cc1csc(NC(=O)Nc2cc(C(C)(C)C)sc2COC=O)c1.

What is the InChIKey of [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate?

The InChIKey is JADRDQCQSXURFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.2C18H25N3O3S.C18H22N2O3S.C17H23N3O3S.C16H20N2O3S2.3CH4/c1-12-7-9-13(10-8-12)20-18(24)21-14-11-15(19(2,3)4)22(5)16(14)17(23)25-6;1-18(2,3)14-11-13(15(25-14)16(22)24-5)20-17(23)19-9-8-12-7-6-10-21(12)4;1-6-8-21-9-7-12(11-21)19-17(23)20-13-10-14(18(2,3)4)25-15(13)16(22)24-5;1-11-6-8-12(9-7-11)19-17(22)20-15-13(16(21)23-5)10-14(24-15)18(2,3)4;1-6-20-8-7-11(10-20)18-16(22)19-12-9-13(17(2,3)4)24-14(12)15(21)23-5;1-10-5-14(22-8-10)18-15(20)17-11-6-13(16(2,3)4)23-12(11)7-21-9-19;;;/h7-11H,1-6H3,(H2,20,21,24);6-7,10-11H,8-9H2,1-5H3,(H2,19,20,23);7,9-11H,6,8H2,1-5H3,(H2,19,20,23);6-10H,1-5H3,(H2,19,20,22);7-10H,6H2,1-5H3,(H2,18,19,22);5-6,8-9H,7H2,1-4H3,(H2,17,18,20);3*1H4.

What are the key properties of [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate?

[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 2166.91 g/mol, XLogP of 28.01, 25 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 158856786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).