N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide

C14H21NO2S — CID 97328538

IUPACN-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide
SMILESCSC[C@H](CCO)NC(=O)c1c(C)cccc1C
InChIInChI=1S/C14H21NO2S/c1-10-5-4-6-11(2)13(10)14(17)15-12(7-8-16)9-18-3/h4-6,12,16H,7-9H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyXZPKYIHTFUKGON-LBPRGKRZSA-N
MW267.39 g/mol
LogP2.15
Rot. Bonds6

About N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide

N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide (PubChem CID 97328538) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide
PubChem CID97328538
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide
SMILESCSC[C@H](CCO)NC(=O)c1c(C)cccc1C
InChIInChI=1S/C14H21NO2S/c1-10-5-4-6-11(2)13(10)14(17)15-12(7-8-16)9-18-3/h4-6,12,16H,7-9H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyXZPKYIHTFUKGON-LBPRGKRZSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-tetrafluoro-N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]benzamide
CID 97328543
2-chloro-3-fluoro-N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]benzamide
CID 97328535
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-methoxy-6-methylbenzamide
CID 131917983
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(1-phenylethyl)urea
CID 111453829
N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
CID 103820772
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea
CID 111452874
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide
CID 97247851
1-[(4-fluoro-3-methylphenyl)methyl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111454178
1-[1-(3-fluorophenyl)propan-2-yl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111455614
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111455468
5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 75514374
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2,3,4-trifluorophenyl)urea
CID 111452632

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide (CID 97328538) is N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide is CSC[C@H](CCO)NC(=O)c1c(C)cccc1C.
What is the InChIKey of N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide?
The InChIKey is XZPKYIHTFUKGON-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-5-4-6-11(2)13(10)14(17)15-12(7-8-16)9-18-3/h4-6,12,16H,7-9H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide?
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide has a molecular weight of 267.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide is sourced from PubChem (CID 97328538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).