(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide

C13H18ClNOS — CID 30392493

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)C
InChIInChI=1S/C13H18ClNOS/c1-4-12(13(16)15-9(2)3)17-11-7-5-10(14)6-8-11/h5-9,12H,4H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyYCNFDLQYQWKXTI-GFCCVEGCSA-N
MW271.81 g/mol
LogP3.74
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide (PubChem CID 30392493) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
PubChem CID30392493
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)C
InChIInChI=1S/C13H18ClNOS/c1-4-12(13(16)15-9(2)3)17-11-7-5-10(14)6-8-11/h5-9,12H,4H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyYCNFDLQYQWKXTI-GFCCVEGCSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92684645
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 28631748
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28565969
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390512
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390507
(2R)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38010728
2-(4-chlorophenyl)sulfanylbutanamide
CID 43916551
2-(4-chlorophenyl)sulfanyl-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132656541
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064
2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132656771
(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
CID 93487779

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide (CID 30392493) is (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)C.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide?
The InChIKey is YCNFDLQYQWKXTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-4-12(13(16)15-9(2)3)17-11-7-5-10(14)6-8-11/h5-9,12H,4H2,1-3H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide has a molecular weight of 271.81 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 30392493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).