2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide

C16H18ClN3O2S2 — CID 2463723

IUPAC2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C16H18ClN3O2S2/c1-10-9-24-16(18-10)20-15(22)13(7-8-23-2)19-14(21)11-5-3-4-6-12(11)17/h3-6,9,13H,7-8H2,1-2H3,(H,19,21)(H,18,20,22)/t13-/m1/s1
InChIKeyAREMRRSZKHFOKO-CYBMUJFWSA-N
MW383.93 g/mol
LogP3.60
Rot. Bonds7

About 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide

2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 2463723) has the molecular formula C16H18ClN3O2S2 and a molecular weight of 383.93 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID2463723
Molecular FormulaC16H18ClN3O2S2
Molecular Weight383.93 g/mol
Exact Mass383.05
IUPAC Name2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C16H18ClN3O2S2/c1-10-9-24-16(18-10)20-15(22)13(7-8-23-2)19-14(21)11-5-3-4-6-12(11)17/h3-6,9,13H,7-8H2,1-2H3,(H,19,21)(H,18,20,22)/t13-/m1/s1
InChIKeyAREMRRSZKHFOKO-CYBMUJFWSA-N
XLogP3.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 51154396
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CID 24568857
4-[2-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55549260
2-hydroxy-N-[4-methylsulfanyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 175350805
2-chloro-N-[1-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55958708
2-chloro-N-[4-methylsulfanyl-1-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 43052393
2-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118307
2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118306
2-chloro-N-[1-[2-(4-chlorobenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55343331
4-amino-N-[4-methylsulfanyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 139371137
N-[(2R)-1-(4-carbamoylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 26636597
2-chloro-N-[(2S)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide (CID 2463723) is 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide is CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C)cs1.
What is the InChIKey of 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is AREMRRSZKHFOKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18ClN3O2S2/c1-10-9-24-16(18-10)20-15(22)13(7-8-23-2)19-14(21)11-5-3-4-6-12(11)17/h3-6,9,13H,7-8H2,1-2H3,(H,19,21)(H,18,20,22)/t13-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?
2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 383.93 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2463723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).