N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

C18H17ClN2O3S — CID 46699704

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C18H17ClN2O3S/c19-13-11-12(5-6-14(13)21-9-1-4-18(21)24)20-17(23)8-7-15(22)16-3-2-10-25-16/h2-3,5-6,10-11H,1,4,7-9H2,(H,20,23)
InChIKeyFPXUXLVBFVYGGI-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.13
Rot. Bonds6

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 46699704) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID46699704
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C18H17ClN2O3S/c19-13-11-12(5-6-14(13)21-9-1-4-18(21)24)20-17(23)8-7-15(22)16-3-2-10-25-16/h2-3,5-6,10-11H,1,4,7-9H2,(H,20,23)
InChIKeyFPXUXLVBFVYGGI-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 51317962
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17443162
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-hydroxypentanamide
CID 79194755
N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46540627
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide
CID 24600272
2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
CID 108807708
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26712354
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
CID 63090019
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]hexanamide
CID 5213764
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24600255
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 46699704) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)Nc1ccc(N2CCCC2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is FPXUXLVBFVYGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-13-11-12(5-6-14(13)21-9-1-4-18(21)24)20-17(23)8-7-15(22)16-3-2-10-25-16/h2-3,5-6,10-11H,1,4,7-9H2,(H,20,23).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 376.87 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 46699704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).