2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide

C16H19N3O2S2 — CID 9118306

IUPAC2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
SMILESCSCC[C@H](NC(=O)c1ccccc1C)C(=O)Nc1nccs1
InChIInChI=1S/C16H19N3O2S2/c1-11-5-3-4-6-12(11)14(20)18-13(7-9-22-2)15(21)19-16-17-8-10-23-16/h3-6,8,10,13H,7,9H2,1-2H3,(H,18,20)(H,17,19,21)/t13-/m0/s1
InChIKeyYOQYXSJMPVKUAE-ZDUSSCGKSA-N
MW349.48 g/mol
LogP2.94
Rot. Bonds7

About 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide

2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide (PubChem CID 9118306) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
PubChem CID9118306
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
SMILESCSCC[C@H](NC(=O)c1ccccc1C)C(=O)Nc1nccs1
InChIInChI=1S/C16H19N3O2S2/c1-11-5-3-4-6-12(11)14(20)18-13(7-9-22-2)15(21)19-16-17-8-10-23-16/h3-6,8,10,13H,7,9H2,1-2H3,(H,18,20)(H,17,19,21)/t13-/m0/s1
InChIKeyYOQYXSJMPVKUAE-ZDUSSCGKSA-N
XLogP2.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118307
(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)butanamide
CID 40972842
2-methyl-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2666515
2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2463723
2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 51154396
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 55335123
2-hydroxy-N-[4-methylsulfanyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 175350805
2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 2540868
2-methyl-N-[(2S)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 2540870
6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 51703534
2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
CID 19630732
1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide
CID 71710468

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide (CID 9118306) is 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide is CSCC[C@H](NC(=O)c1ccccc1C)C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The InChIKey is YOQYXSJMPVKUAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-11-5-3-4-6-12(11)14(20)18-13(7-9-22-2)15(21)19-16-17-8-10-23-16/h3-6,8,10,13H,7,9H2,1-2H3,(H,18,20)(H,17,19,21)/t13-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide has a molecular weight of 349.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 9118306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).