2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide

C14H20N2O2S — CID 2124176

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-10(2)15-14(18)9-19-13-7-5-12(6-8-13)16-11(3)17/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeySNJDDKGICANWBM-JTQLQIEISA-N
MW280.39 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide (PubChem CID 2124176) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
PubChem CID2124176
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-10(2)15-14(18)9-19-13-7-5-12(6-8-13)16-11(3)17/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeySNJDDKGICANWBM-JTQLQIEISA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55325957
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 25401477
N-[4-(butan-2-ylcarbamothioylamino)phenyl]acetamide
CID 43427098
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 2954459
2-(4-bromophenyl)sulfanyl-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8707507

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide (CID 2124176) is 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is SNJDDKGICANWBM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-10(2)15-14(18)9-19-13-7-5-12(6-8-13)16-11(3)17/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1.
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 2124176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).