N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide

C31H31N3O4S — CID 71959288

IUPACN-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide
SMILESCOc1ccc(C)cc1NC1=C(Sc2ccc(NC(=O)C3CCCC3)cc2)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C31H31N3O4S/c1-19-8-13-23(14-9-19)34-30(36)27(33-25-18-20(2)10-17-26(25)38-3)28(31(34)37)39-24-15-11-22(12-16-24)32-29(35)21-6-4-5-7-21/h8-18,21,33H,4-7H2,1-3H3,(H,32,35)
InChIKeyTXFIMMTTWOSAHL-UHFFFAOYSA-N
MW541.67 g/mol
LogP6.43
Rot. Bonds8

About N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide

N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide (PubChem CID 71959288) has the molecular formula C31H31N3O4S and a molecular weight of 541.67 g/mol. Its IUPAC name is N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide
PubChem CID71959288
Molecular FormulaC31H31N3O4S
Molecular Weight541.67 g/mol
Exact Mass541.20
IUPAC NameN-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide
SMILESCOc1ccc(C)cc1NC1=C(Sc2ccc(NC(=O)C3CCCC3)cc2)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C31H31N3O4S/c1-19-8-13-23(14-9-19)34-30(36)27(33-25-18-20(2)10-17-26(25)38-3)28(31(34)37)39-24-15-11-22(12-16-24)32-29(35)21-6-4-5-7-21/h8-18,21,33H,4-7H2,1-3H3,(H,32,35)
InChIKeyTXFIMMTTWOSAHL-UHFFFAOYSA-N
XLogP6.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.67
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-anilino-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide
CID 83277904
N-[4-[1-(furan-2-ylmethyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide
CID 83276057
4-fluoro-N-[4-[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 83276081
N-[4-[1-(3,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 83276102
N-[3-[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]furan-2-carboxamide
CID 83276049
N-[4-[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-4-methoxybenzamide
CID 83274721
1-(4-fluorophenyl)-3-(4-methoxyanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione
CID 1193456
N-[4-[4-anilino-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-2-chlorobenzamide
CID 83275987
4-fluoro-N-[4-[1-(4-fluorophenyl)-4-(4-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 83277817
N-[4-[1-(4-methoxyphenyl)-4-(4-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]furan-2-carboxamide
CID 83277887
N-[4-[4-(4-methylanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]sulfanylphenyl]benzamide
CID 83277872
3-chloro-N-[4-[4-(2-methoxy-5-methylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 83276063

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide (CID 71959288) is N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide is COc1ccc(C)cc1NC1=C(Sc2ccc(NC(=O)C3CCCC3)cc2)C(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide?
The InChIKey is TXFIMMTTWOSAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O4S/c1-19-8-13-23(14-9-19)34-30(36)27(33-25-18-20(2)10-17-26(25)38-3)28(31(34)37)39-24-15-11-22(12-16-24)32-29(35)21-6-4-5-7-21/h8-18,21,33H,4-7H2,1-3H3,(H,32,35).
What are the key properties of N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide?
N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide has a molecular weight of 541.67 g/mol, XLogP of 6.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]cyclopentanecarboxamide is sourced from PubChem (CID 71959288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).