4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide

C21H25ClN2O3S — CID 4792798

IUPAC4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
SMILESCOc1ccc(C(CNC(=O)CCC(=O)c2ccc(Cl)s2)N2CCCC2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-27-16-6-4-15(5-7-16)17(24-12-2-3-13-24)14-23-21(26)11-8-18(25)19-9-10-20(22)28-19/h4-7,9-10,17H,2-3,8,11-14H2,1H3,(H,23,26)
InChIKeyJSRKYIBHJBPVIJ-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.33
Rot. Bonds9

About 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide (PubChem CID 4792798) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
PubChem CID4792798
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
SMILESCOc1ccc(C(CNC(=O)CCC(=O)c2ccc(Cl)s2)N2CCCC2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-27-16-6-4-15(5-7-16)17(24-12-2-3-13-24)14-23-21(26)11-8-18(25)19-9-10-20(22)28-19/h4-7,9-10,17H,2-3,8,11-14H2,1H3,(H,23,26)
InChIKeyJSRKYIBHJBPVIJ-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide 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

5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 43005379
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51161543
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
2,5-dichloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-3-carboxamide
CID 17494054
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18152062
3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 41093506

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide (CID 4792798) is 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide is COc1ccc(C(CNC(=O)CCC(=O)c2ccc(Cl)s2)N2CCCC2)cc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
The InChIKey is JSRKYIBHJBPVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-27-16-6-4-15(5-7-16)17(24-12-2-3-13-24)14-23-21(26)11-8-18(25)19-9-10-20(22)28-19/h4-7,9-10,17H,2-3,8,11-14H2,1H3,(H,23,26).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide has a molecular weight of 420.96 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide is sourced from PubChem (CID 4792798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).