3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide

C18H21N3O2S — CID 26591878

IUPAC3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
SMILESCSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H21N3O2S/c1-13-5-3-6-14(11-13)17(22)21-16(8-10-24-2)18(23)20-15-7-4-9-19-12-15/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyTUYGGYDBUJQTEJ-MRXNPFEDSA-N
MW343.45 g/mol
LogP2.88
Rot. Bonds7

About 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide

3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide (PubChem CID 26591878) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
PubChem CID26591878
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
SMILESCSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H21N3O2S/c1-13-5-3-6-14(11-13)17(22)21-16(8-10-24-2)18(23)20-15-7-4-9-19-12-15/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyTUYGGYDBUJQTEJ-MRXNPFEDSA-N
XLogP2.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55334670
3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 27647873
N-[(2R)-1-(1H-indazol-5-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 97072071
3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(propylamino)butan-2-yl]benzamide
CID 29292286
N-[1-(3-chloro-2-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335470
N-[1-[(2-amino-2-methylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119626606
2-chloro-4-[[2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoyl]amino]benzamide
CID 55641796
4-methoxy-N-[(2S)-1-(3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9341786
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-[1-(3-aminobutylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119495659
3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]benzamide
CID 8024256
3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55971795

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide (CID 26591878) is 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide is CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cccnc1.
What is the InChIKey of 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide?
The InChIKey is TUYGGYDBUJQTEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13-5-3-6-14(11-13)17(22)21-16(8-10-24-2)18(23)20-15-7-4-9-19-12-15/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide?
3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 26591878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).