(2R)-2-(4-chlorophenyl)sulfanylbutanamide

C10H12ClNOS — CID 38010728

IUPAC(2R)-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C10H12ClNOS/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H2,12,13)/t9-/m1/s1
InChIKeyZCXOQPALMKVZTN-SECBINFHSA-N
MW229.73 g/mol
LogP2.70
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)sulfanylbutanamide

(2R)-2-(4-chlorophenyl)sulfanylbutanamide (PubChem CID 38010728) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanylbutanamide
PubChem CID38010728
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C10H12ClNOS/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H2,12,13)/t9-/m1/s1
InChIKeyZCXOQPALMKVZTN-SECBINFHSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanylbutanamide
CID 43916551
ethyl 2-(4-chlorophenyl)sulfanylbutanoate
CID 11345949
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide
CID 92682333
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064
2-(4-chlorophenyl)sulfanyl-1-(3-methylpiperidin-1-yl)butan-1-one
CID 132760366
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-(4-chlorophenyl)sulfanylbutanoate
CID 10473293
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 28631748

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanylbutanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanylbutanamide (CID 38010728) is (2R)-2-(4-chlorophenyl)sulfanylbutanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanylbutanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanylbutanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanylbutanamide?
The InChIKey is ZCXOQPALMKVZTN-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H2,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanylbutanamide?
(2R)-2-(4-chlorophenyl)sulfanylbutanamide has a molecular weight of 229.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanylbutanamide is sourced from PubChem (CID 38010728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).