N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

C19H13ClN2OS2 — CID 9456173

IUPACN-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1Cl
InChIInChI=1S/C19H13ClN2OS2/c20-17-10-14(8-7-13(17)11-21)22-19(23)16-5-1-2-6-18(16)25-12-15-4-3-9-24-15/h1-10H,12H2,(H,22,23)
InChIKeyRHXRKVHHXVZZSI-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.82
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 9456173) has the molecular formula C19H13ClN2OS2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID9456173
Molecular FormulaC19H13ClN2OS2
Molecular Weight384.91 g/mol
Exact Mass384.02
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1Cl
InChIInChI=1S/C19H13ClN2OS2/c20-17-10-14(8-7-13(17)11-21)22-19(23)16-5-1-2-6-18(16)25-12-15-4-3-9-24-15/h1-10H,12H2,(H,22,23)
InChIKeyRHXRKVHHXVZZSI-UHFFFAOYSA-N
XLogP5.82
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660
N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 26719369
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 167895154
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
2-(cyanomethylsulfanyl)-N-(3,4-dichlorophenyl)benzamide
CID 36677970
N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 37345134
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 47072037
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051091
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 36542663
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 9456173) is N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is N#Cc1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is RHXRKVHHXVZZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS2/c20-17-10-14(8-7-13(17)11-21)22-19(23)16-5-1-2-6-18(16)25-12-15-4-3-9-24-15/h1-10H,12H2,(H,22,23).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 384.91 g/mol, XLogP of 5.82, 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-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 9456173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).