N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide

C12H16ClNOS — CID 722549

IUPACN-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNOS/c1-3-9(2)14-12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyCOXAOVLASJCHPU-VIFPVBQESA-N
MW257.79 g/mol
LogP3.35
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide

N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 722549) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID722549
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC NameN-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNOS/c1-3-9(2)14-12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyCOXAOVLASJCHPU-VIFPVBQESA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7816591
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43404111
4-(4-chlorophenyl)sulfanyl-N-(1-hydroxypropan-2-yl)butanamide
CID 43418955
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653854
N-[(2R)-butan-2-yl]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2682416
N-[(2R)-butan-2-yl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7940518

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide (CID 722549) is N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide is CC[C@H](C)NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is COXAOVLASJCHPU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-3-9(2)14-12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 257.79 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 722549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).