N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide

C24H18N4OS — CID 60557155

IUPACN-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H18N4OS/c25-14-19-10-4-6-12-22(19)30-23-13-7-5-11-21(23)24(29)27-20-15-26-28(17-20)16-18-8-2-1-3-9-18/h1-13,15,17H,16H2,(H,27,29)
InChIKeyIQMDCILAJBRAIQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.21
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide

N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide (PubChem CID 60557155) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide
PubChem CID60557155
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H18N4OS/c25-14-19-10-4-6-12-22(19)30-23-13-7-5-11-21(23)24(29)27-20-15-26-28(17-20)16-18-8-2-1-3-9-18/h1-13,15,17H,16H2,(H,27,29)
InChIKeyIQMDCILAJBRAIQ-UHFFFAOYSA-N
XLogP5.21
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
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N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 86991680
2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
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2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
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CID 36711444

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide (CID 60557155) is N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide is N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide?
The InChIKey is IQMDCILAJBRAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c25-14-19-10-4-6-12-22(19)30-23-13-7-5-11-21(23)24(29)27-20-15-26-28(17-20)16-18-8-2-1-3-9-18/h1-13,15,17H,16H2,(H,27,29).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide?
N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide has a molecular weight of 410.50 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide is sourced from PubChem (CID 60557155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).