N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide

C20H23ClN2O2S — CID 508739

IUPACN-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NC1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2O2S/c21-16-8-6-15(7-9-16)13-23-11-10-17(14-23)22-20(25)5-1-3-18(24)19-4-2-12-26-19/h2,4,6-9,12,17H,1,3,5,10-11,13-14H2,(H,22,25)
InChIKeyRZHMFUJSAMFMQB-UHFFFAOYSA-N
MW390.94 g/mol
LogP4.15
Rot. Bonds8

About N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide

N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 508739) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID508739
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NC1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2O2S/c21-16-8-6-15(7-9-16)13-23-11-10-17(14-23)22-20(25)5-1-3-18(24)19-4-2-12-26-19/h2,4,6-9,12,17H,1,3,5,10-11,13-14H2,(H,22,25)
InChIKeyRZHMFUJSAMFMQB-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiophenecarboxamide,5-chloro-N-[(1R,2S)-2-[[4-[1-(1-pyrrolidinylmethyl)cyclopropyl]benzoyl]amino]cyclopentyl]-
CID 44432538
5-chloro-N-((1R,2S)-2-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)benzamido)cyclohexyl)thiophene-2-carboxamide
CID 44432539
N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
Thiophene-2-carboxylic acid [2-(4-chloro-phenyl)-2-oxo-ethyl]-amide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
N-[(3-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 16378179

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide (CID 508739) is N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide is O=C(CCCC(=O)c1cccs1)NC1CCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is RZHMFUJSAMFMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c21-16-8-6-15(7-9-16)13-23-11-10-17(14-23)22-20(25)5-1-3-18(24)19-4-2-12-26-19/h2,4,6-9,12,17H,1,3,5,10-11,13-14H2,(H,22,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide?
N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 390.94 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 508739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).