2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide

C21H26N2O2S — CID 41013790

IUPAC2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
SMILESCSc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C
InChIInChI=1S/C21H26N2O2S/c1-14(2)13-18(23-20(24)16-10-6-5-9-15(16)3)21(25)22-17-11-7-8-12-19(17)26-4/h5-12,14,18H,13H2,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyXQHZQFNVPQYROT-SFHVURJKSA-N
MW370.52 g/mol
LogP4.50
Rot. Bonds7

About 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide

2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide (PubChem CID 41013790) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
PubChem CID41013790
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
SMILESCSc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C
InChIInChI=1S/C21H26N2O2S/c1-14(2)13-18(23-20(24)16-10-6-5-9-15(16)3)21(25)22-17-11-7-8-12-19(17)26-4/h5-12,14,18H,13H2,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyXQHZQFNVPQYROT-SFHVURJKSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
N-[1-[3-(hydroxymethyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 112766703
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-[(2S)-1-[4-(diethylamino)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 2438696
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
CID 35028557
2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
CID 55612429
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(2-phenylsulfanylethylamino)pentan-2-yl]benzamide
CID 9482953
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide (CID 41013790) is 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide is CSc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide?
The InChIKey is XQHZQFNVPQYROT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14(2)13-18(23-20(24)16-10-6-5-9-15(16)3)21(25)22-17-11-7-8-12-19(17)26-4/h5-12,14,18H,13H2,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide?
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide has a molecular weight of 370.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 41013790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).