N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide

C12H16ClNOS — CID 60624641

IUPACN-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
SMILESCCC(C)NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C12H16ClNOS/c1-3-9(2)14-12(15)8-16-11-7-5-4-6-10(11)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyYOLLQNGKXRUKLD-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.35
Rot. Bonds5

About N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide

N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide (PubChem CID 60624641) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
PubChem CID60624641
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC NameN-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
SMILESCCC(C)NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C12H16ClNOS/c1-3-9(2)14-12(15)8-16-11-7-5-4-6-10(11)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyYOLLQNGKXRUKLD-UHFFFAOYSA-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-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 16795753
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 2889769
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
N-[(2S)-1-aminopropan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 120505086
2-(2-chlorophenyl)sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7760987
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
CID 43390274
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide (CID 60624641) is N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide is CCC(C)NC(=O)CSc1ccccc1Cl.
What is the InChIKey of N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide?
The InChIKey is YOLLQNGKXRUKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-3-9(2)14-12(15)8-16-11-7-5-4-6-10(11)13/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide?
N-butan-2-yl-2-(2-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-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 60624641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).