N-[3-(benzenesulfinylmethyl)phenyl]acetamide

C15H15NO2S — CID 166180703

IUPACN-[3-(benzenesulfinylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(CS(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO2S/c1-12(17)16-14-7-5-6-13(10-14)11-19(18)15-8-3-2-4-9-15/h2-10H,11H2,1H3,(H,16,17)
InChIKeyICXRTOCGYRNDRR-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.95
Rot. Bonds4

About N-[3-(benzenesulfinylmethyl)phenyl]acetamide

N-[3-(benzenesulfinylmethyl)phenyl]acetamide (PubChem CID 166180703) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[3-(benzenesulfinylmethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(benzenesulfinylmethyl)phenyl]acetamide
PubChem CID166180703
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-[3-(benzenesulfinylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(CS(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO2S/c1-12(17)16-14-7-5-6-13(10-14)11-19(18)15-8-3-2-4-9-15/h2-10H,11H2,1H3,(H,16,17)
InChIKeyICXRTOCGYRNDRR-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[3-[[(S)-phenylsulfinyl]methyl]phenyl]urea
CID 95975369
3-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylbutanamide
CID 120501046
5-[3-(benzenesulfinylmethyl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119133863
2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide
CID 119789921
N-[3-(benzenesulfinylmethyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 86956484
N-[3-(propan-2-ylsulfinylmethyl)phenyl]acetamide
CID 89451371
(2S,4S)-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633764
(2S,4S)-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633763
3-[[3-[[(R)-phenylsulfinyl]methyl]anilino]methyl]phenol
CID 97236714
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
1-[3-(methylsulfanylmethyl)phenyl]-3-[2-[(R)-phenylsulfinyl]ethyl]urea
CID 95630532
N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide
CID 86956473

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfinylmethyl)phenyl]acetamide?
The IUPAC name of N-[3-(benzenesulfinylmethyl)phenyl]acetamide (CID 166180703) is N-[3-(benzenesulfinylmethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(benzenesulfinylmethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(benzenesulfinylmethyl)phenyl]acetamide is CC(=O)Nc1cccc(CS(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(benzenesulfinylmethyl)phenyl]acetamide?
The InChIKey is ICXRTOCGYRNDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-12(17)16-14-7-5-6-13(10-14)11-19(18)15-8-3-2-4-9-15/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of N-[3-(benzenesulfinylmethyl)phenyl]acetamide?
N-[3-(benzenesulfinylmethyl)phenyl]acetamide has a molecular weight of 273.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfinylmethyl)phenyl]acetamide is sourced from PubChem (CID 166180703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).