N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C24H22ClN3O3S — CID 55866569

IUPACN-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C24H22ClN3O3S/c25-18-9-5-16(6-10-18)23(20-3-2-14-32-20)27-21(29)15-26-24(31)17-7-11-19(12-8-17)28-13-1-4-22(28)30/h2-3,5-12,14,23H,1,4,13,15H2,(H,26,31)(H,27,29)
InChIKeyGDHOCIJOLCHDPT-UHFFFAOYSA-N
MW467.98 g/mol
LogP4.16
Rot. Bonds7

About N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55866569) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55866569
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC NameN-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C24H22ClN3O3S/c25-18-9-5-16(6-10-18)23(20-3-2-14-32-20)27-21(29)15-26-24(31)17-7-11-19(12-8-17)28-13-1-4-22(28)30/h2-3,5-12,14,23H,1,4,13,15H2,(H,26,31)(H,27,29)
InChIKeyGDHOCIJOLCHDPT-UHFFFAOYSA-N
XLogP4.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide 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-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46580043
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17405220
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 75512178
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46700054
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46580236
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 47837776

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 55866569) is N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC(c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is GDHOCIJOLCHDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c25-18-9-5-16(6-10-18)23(20-3-2-14-32-20)27-21(29)15-26-24(31)17-7-11-19(12-8-17)28-13-1-4-22(28)30/h2-3,5-12,14,23H,1,4,13,15H2,(H,26,31)(H,27,29).
What are the key properties of N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 467.98 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55866569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).