2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide

C15H14ClNO3S — CID 40512822

IUPAC2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[S@](=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-20-12-8-6-11(7-9-12)17-15(18)10-21(19)14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)/t21-/m0/s1
InChIKeyNEOAMWWFRUIBEX-NRFANRHFSA-N
MW323.80 g/mol
LogP3.09
Rot. Bonds5

About 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide

2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 40512822) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
PubChem CID40512822
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[S@](=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-20-12-8-6-11(7-9-12)17-15(18)10-21(19)14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)/t21-/m0/s1
InChIKeyNEOAMWWFRUIBEX-NRFANRHFSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide
CID 61289994
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetic acid
CID 854402
2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40525367
2-[(R)-(3-fluorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 71283163
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
CID 1462946
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916212
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3928053
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51552612
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide
CID 39967717

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide (CID 40512822) is 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[S@](=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is NEOAMWWFRUIBEX-NRFANRHFSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-20-12-8-6-11(7-9-12)17-15(18)10-21(19)14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)/t21-/m0/s1.
What are the key properties of 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide?
2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 323.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 40512822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).