2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide

C13H14N4O2S — CID 51248279

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccccc2SCC(N)=O)n1
InChIInChI=1S/C13H14N4O2S/c1-17-7-6-12(16-17)15-13(19)9-4-2-3-5-10(9)20-8-11(14)18/h2-7H,8H2,1H3,(H2,14,18)(H,15,16,19)
InChIKeyLXWRVSPFHMMOHI-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.25
Rot. Bonds5

About 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 51248279) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID51248279
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccccc2SCC(N)=O)n1
InChIInChI=1S/C13H14N4O2S/c1-17-7-6-12(16-17)15-13(19)9-4-2-3-5-10(9)20-8-11(14)18/h2-7H,8H2,1H3,(H2,14,18)(H,15,16,19)
InChIKeyLXWRVSPFHMMOHI-UHFFFAOYSA-N
XLogP1.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237876
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-[(1-methylpyrazol-3-yl)carbamoyl]phenyl]sulfanylacetate
CID 95343313
2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
CID 36676700
N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 37345198
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955
2-(2-amino-2-oxoethyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 43033936
2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 24501980
N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
CID 51278223
N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119639773
2-[(4-fluorophenyl)methoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 24627289
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86932022
2-amino-N-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 62160962

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide (CID 51248279) is 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccccc2SCC(N)=O)n1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is LXWRVSPFHMMOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-17-7-6-12(16-17)15-13(19)9-4-2-3-5-10(9)20-8-11(14)18/h2-7H,8H2,1H3,(H2,14,18)(H,15,16,19).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 290.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 51248279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).