5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid

C89H88ClN7O17S2 — CID 163576353

IUPAC5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid
SMILESCCc1ccc(C(=O)OC)cc1.CN1C(=O)Cc2cc(C(=O)Cc3cc(-c4cccs4)ccc3N)ccc21.CN1C(=O)Cc2cc(C(=O)Cc3cc(-c4cccs4)ccc3NC(=O)OC(C)(C)C)ccc21.CN1C(=O)Cc2cc(C(=O)O)ccc21.COC(=O)c1ccc(N(C)C(=O)CCl)cc1.COC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C26H26N2O4S.C21H18N2O2S.C11H12ClNO3.C11H11NO3.C10H9NO3.C10H12O2/c1-26(2,3)32-25(31)27-20-9-7-17(23-6-5-11-33-23)13-18(20)14-22(29)16-8-10-21-19(12-16)15-24(30)28(21)4;1-23-18-7-5-13(9-16(18)12-21(23)25)19(24)11-15-10-14(4-6-17(15)22)20-3-2-8-26-20;1-13(10(14)7-12)9-5-3-8(4-6-9)11(15)16-2;1-12-9-4-3-7(11(14)15-2)5-8(9)6-10(12)13;1-11-8-3-2-6(10(13)14)4-7(8)5-9(11)12;1-3-8-4-6-9(7-5-8)10(11)12-2/h5-13H,14-15H2,1-4H3,(H,27,31);2-10H,11-12,22H2,1H3;3-6H,7H2,1-2H3;3-5H,6H2,1-2H3;2-4H,5H2,1H3,(H,13,14);4-7H,3H2,1-2H3
InChIKeyGDUGJQFJZYEKMJ-UHFFFAOYSA-N
MW1627.30 g/mol
LogP15.25
Rot. Bonds16

About 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid

5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 163576353) has the molecular formula C89H88ClN7O17S2 and a molecular weight of 1627.30 g/mol. Its IUPAC name is 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid
PubChem CID163576353
Molecular FormulaC89H88ClN7O17S2
Molecular Weight1627.30 g/mol
Exact Mass1625.54
IUPAC Name5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid
SMILESCCc1ccc(C(=O)OC)cc1.CN1C(=O)Cc2cc(C(=O)Cc3cc(-c4cccs4)ccc3N)ccc21.CN1C(=O)Cc2cc(C(=O)Cc3cc(-c4cccs4)ccc3NC(=O)OC(C)(C)C)ccc21.CN1C(=O)Cc2cc(C(=O)O)ccc21.COC(=O)c1ccc(N(C)C(=O)CCl)cc1.COC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C26H26N2O4S.C21H18N2O2S.C11H12ClNO3.C11H11NO3.C10H9NO3.C10H12O2/c1-26(2,3)32-25(31)27-20-9-7-17(23-6-5-11-33-23)13-18(20)14-22(29)16-8-10-21-19(12-16)15-24(30)28(21)4;1-23-18-7-5-13(9-16(18)12-21(23)25)19(24)11-15-10-14(4-6-17(15)22)20-3-2-8-26-20;1-13(10(14)7-12)9-5-3-8(4-6-9)11(15)16-2;1-12-9-4-3-7(11(14)15-2)5-8(9)6-10(12)13;1-11-8-3-2-6(10(13)14)4-7(8)5-9(11)12;1-3-8-4-6-9(7-5-8)10(11)12-2/h5-13H,14-15H2,1-4H3,(H,27,31);2-10H,11-12,22H2,1H3;3-6H,7H2,1-2H3;3-5H,6H2,1-2H3;2-4H,5H2,1H3,(H,13,14);4-7H,3H2,1-2H3
InChIKeyGDUGJQFJZYEKMJ-UHFFFAOYSA-N
XLogP15.25
TPSA316.24 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.30
LogP ≤ 515.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid (CID 163576353) is 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid is CCc1ccc(C(=O)OC)cc1.CN1C(=O)Cc2cc(C(=O)Cc3cc(-c4cccs4)ccc3N)ccc21.CN1C(=O)Cc2cc(C(=O)Cc3cc(-c4cccs4)ccc3NC(=O)OC(C)(C)C)ccc21.CN1C(=O)Cc2cc(C(=O)O)ccc21.COC(=O)c1ccc(N(C)C(=O)CCl)cc1.COC(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is GDUGJQFJZYEKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S.C21H18N2O2S.C11H12ClNO3.C11H11NO3.C10H9NO3.C10H12O2/c1-26(2,3)32-25(31)27-20-9-7-17(23-6-5-11-33-23)13-18(20)14-22(29)16-8-10-21-19(12-16)15-24(30)28(21)4;1-23-18-7-5-13(9-16(18)12-21(23)25)19(24)11-15-10-14(4-6-17(15)22)20-3-2-8-26-20;1-13(10(14)7-12)9-5-3-8(4-6-9)11(15)16-2;1-12-9-4-3-7(11(14)15-2)5-8(9)6-10(12)13;1-11-8-3-2-6(10(13)14)4-7(8)5-9(11)12;1-3-8-4-6-9(7-5-8)10(11)12-2/h5-13H,14-15H2,1-4H3,(H,27,31);2-10H,11-12,22H2,1H3;3-6H,7H2,1-2H3;3-5H,6H2,1-2H3;2-4H,5H2,1H3,(H,13,14);4-7H,3H2,1-2H3.
What are the key properties of 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid?
5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 1627.30 g/mol, XLogP of 15.25, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-1-methyl-3H-indol-2-one;tert-butyl N-[2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 4-[(2-chloroacetyl)-methylamino]benzoate;methyl 4-ethylbenzoate;methyl 1-methyl-2-oxo-3H-indole-5-carboxylate;1-methyl-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 163576353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).