N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C15H20N4OS — CID 95971468

IUPACN-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCSCC[C@H](C)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C15H20N4OS/c1-10(7-8-21-3)16-15(20)13-6-4-5-12(9-13)14-17-11(2)18-19-14/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)(H,17,18,19)/t10-/m0/s1
InChIKeyAXBAPJOCECFRAK-JTQLQIEISA-N
MW304.42 g/mol
LogP2.65
Rot. Bonds6

About N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 95971468) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID95971468
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCSCC[C@H](C)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C15H20N4OS/c1-10(7-8-21-3)16-15(20)13-6-4-5-12(9-13)14-17-11(2)18-19-14/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)(H,17,18,19)/t10-/m0/s1
InChIKeyAXBAPJOCECFRAK-JTQLQIEISA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 110001357
N-[(2S)-1-anilino-1-oxopropan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95971466
N-(2-hydroxy-2,5-dimethylhexyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111595875
N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111831347
methyl 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]amino]oxyacetate
CID 167909307
N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 166216124
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 71930144
1-(1-hydroxy-4-methylpentan-3-yl)-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 111474600
(2S)-2-amino-4-methylsulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
CID 119311507
3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 27647873
[2-(butan-2-ylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate
CID 42903335
4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide
CID 95909105

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 95971468) is N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is CSCC[C@H](C)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1.
What is the InChIKey of N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is AXBAPJOCECFRAK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(7-8-21-3)16-15(20)13-6-4-5-12(9-13)14-17-11(2)18-19-14/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)(H,17,18,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 304.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 95971468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).