N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide

C21H24N2O3S — CID 131911003

IUPACN-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide
SMILESCC(=O)c1cc(CC(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)cs1
InChIInChI=1S/C21H24N2O3S/c1-13-7-8-17(23-21(26)16-5-3-4-6-16)18(9-13)22-20(25)11-15-10-19(14(2)24)27-12-15/h7-10,12,16H,3-6,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUIHLRCYFNVRQMD-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.57
Rot. Bonds6

About N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide

N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide (PubChem CID 131911003) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide
PubChem CID131911003
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide
SMILESCC(=O)c1cc(CC(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)cs1
InChIInChI=1S/C21H24N2O3S/c1-13-7-8-17(23-21(26)16-5-3-4-6-16)18(9-13)22-20(25)11-15-10-19(14(2)24)27-12-15/h7-10,12,16H,3-6,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUIHLRCYFNVRQMD-UHFFFAOYSA-N
XLogP4.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]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-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131940308
4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
CID 131902266
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
CID 131938609
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131897893
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 131923639

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide (CID 131911003) is N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide is CC(=O)c1cc(CC(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)cs1.
What is the InChIKey of N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide?
The InChIKey is UIHLRCYFNVRQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-13-7-8-17(23-21(26)16-5-3-4-6-16)18(9-13)22-20(25)11-15-10-19(14(2)24)27-12-15/h7-10,12,16H,3-6,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide?
N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide has a molecular weight of 384.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide is sourced from PubChem (CID 131911003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).