N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide

C16H16ClNO2S — CID 1489581

IUPACN-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c17-14-6-8-15(9-7-14)21(20)11-10-18-16(19)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeyQHHSPKCKLQDIDS-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide

N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide (PubChem CID 1489581) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide
PubChem CID1489581
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC NameN-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c17-14-6-8-15(9-7-14)21(20)11-10-18-16(19)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeyQHHSPKCKLQDIDS-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide (CID 1489581) is N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCS(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide?
The InChIKey is QHHSPKCKLQDIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-14-6-8-15(9-7-14)21(20)11-10-18-16(19)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide?
N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide has a molecular weight of 321.83 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfinylethyl]-2-phenylacetamide is sourced from PubChem (CID 1489581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).