2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide

C11H11ClN2OS — CID 7816400

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2OS/c12-9-2-4-10(5-3-9)16-8-11(15)14-7-1-6-13/h2-5H,1,7-8H2,(H,14,15)
InChIKeyPZWXUDWYXGQUQC-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.46
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide (PubChem CID 7816400) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide
PubChem CID7816400
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2OS/c12-9-2-4-10(5-3-9)16-8-11(15)14-7-1-6-13/h2-5H,1,7-8H2,(H,14,15)
InChIKeyPZWXUDWYXGQUQC-UHFFFAOYSA-N
XLogP2.46
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 7603938
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
2-(4-chlorophenyl)sulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115700002
N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999188
N-(2-cyanoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7892944

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide (CID 7816400) is 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide?
The InChIKey is PZWXUDWYXGQUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-9-2-4-10(5-3-9)16-8-11(15)14-7-1-6-13/h2-5H,1,7-8H2,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide has a molecular weight of 254.74 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 7816400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).