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

C13H17ClN2O2S — CID 7816591

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2S/c1-3-9(2)15-13(18)16-12(17)8-19-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)/t9-/m0/s1
InChIKeyYPMXXKVFHNIOKV-VIFPVBQESA-N
MW300.81 g/mol
LogP3.06
Rot. Bonds5

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

N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 7816591) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID7816591
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2S/c1-3-9(2)15-13(18)16-12(17)8-19-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)/t9-/m0/s1
InChIKeyYPMXXKVFHNIOKV-VIFPVBQESA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
2-(4-bromophenyl)sulfanyl-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8707507
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821289
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43242280
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653854
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 7816591) is N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide is CC[C@H](C)NC(=O)NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is YPMXXKVFHNIOKV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-3-9(2)15-13(18)16-12(17)8-19-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)/t9-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 300.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 7816591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).