2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide

C15H14ClNO2S — CID 95169344

IUPAC2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[S@](=O)Cc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c16-13-6-8-14(9-7-13)17-15(18)11-20(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)/t20-/m1/s1
InChIKeyCPAMGDKFFDLNDB-HXUWFJFHSA-N
MW307.80 g/mol
LogP3.23
Rot. Bonds5

About 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide

2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide (PubChem CID 95169344) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide
PubChem CID95169344
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[S@](=O)Cc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c16-13-6-8-14(9-7-13)17-15(18)11-20(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)/t20-/m1/s1
InChIKeyCPAMGDKFFDLNDB-HXUWFJFHSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51508267
N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
CID 110005569
3-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123098878
2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide
CID 95169102
2-[(4-chlorophenyl)carbamothioylamino]-N-phenylacetamide
CID 87893882
4-[[2-[(4-cyanophenyl)methylsulfinyl]acetyl]amino]benzoic acid
CID 123119208
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide (CID 95169344) is 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide is O=C(C[S@](=O)Cc1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide?
The InChIKey is CPAMGDKFFDLNDB-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-13-6-8-14(9-7-13)17-15(18)11-20(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)/t20-/m1/s1.
What are the key properties of 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide?
2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide has a molecular weight of 307.80 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 95169344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).