N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide

C24H18ClN3O2S — CID 46531626

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C24H18ClN3O2S/c25-19-14-17(11-12-20(19)28-13-5-10-23(28)29)27-24(30)18-7-2-4-9-22(18)31-21-8-3-1-6-16(21)15-26/h1-4,6-9,11-12,14H,5,10,13H2,(H,27,30)
InChIKeyAEGWIDNFWADBCL-UHFFFAOYSA-N
MW447.95 g/mol
LogP5.74
Rot. Bonds5

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide (PubChem CID 46531626) has the molecular formula C24H18ClN3O2S and a molecular weight of 447.95 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
PubChem CID46531626
Molecular FormulaC24H18ClN3O2S
Molecular Weight447.95 g/mol
Exact Mass447.08
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C24H18ClN3O2S/c25-19-14-17(11-12-20(19)28-13-5-10-23(28)29)27-24(30)18-7-2-4-9-22(18)31-21-8-3-1-6-16(21)15-26/h1-4,6-9,11-12,14H,5,10,13H2,(H,27,30)
InChIKeyAEGWIDNFWADBCL-UHFFFAOYSA-N
XLogP5.74
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.95
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide
CID 42142736
2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
CID 17452256
5-bromo-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-hydroxybenzamide
CID 25495530
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132614
N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 34111218
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 46532816
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927653

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide (CID 46531626) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide is N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide?
The InChIKey is AEGWIDNFWADBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2S/c25-19-14-17(11-12-20(19)28-13-5-10-23(28)29)27-24(30)18-7-2-4-9-22(18)31-21-8-3-1-6-16(21)15-26/h1-4,6-9,11-12,14H,5,10,13H2,(H,27,30).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide has a molecular weight of 447.95 g/mol, XLogP of 5.74, 5 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]-2-(2-cyanophenyl)sulfanylbenzamide is sourced from PubChem (CID 46531626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).