N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide

C15H15NO3S — CID 39967717

IUPACN-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2[S@](C)=O)cc1
InChIInChI=1S/C15H15NO3S/c1-19-12-9-7-11(8-10-12)16-15(17)13-5-3-4-6-14(13)20(2)18/h3-10H,1-2H3,(H,16,17)/t20-/m0/s1
InChIKeyYYZWWFJRBRMTLC-FQEVSTJZSA-N
MW289.36 g/mol
LogP2.68
Rot. Bonds4

About N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide

N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide (PubChem CID 39967717) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide
PubChem CID39967717
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2[S@](C)=O)cc1
InChIInChI=1S/C15H15NO3S/c1-19-12-9-7-11(8-10-12)16-15(17)13-5-3-4-6-14(13)20(2)18/h3-10H,1-2H3,(H,16,17)/t20-/m0/s1
InChIKeyYYZWWFJRBRMTLC-FQEVSTJZSA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-methylsulfinylbenzamide
CID 12718460
N-(4-methoxyphenyl)-4-methylsulfinylbenzamide
CID 51191498
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
methyl (2S)-2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]sulfanylpropanoate
CID 94033049
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide (CID 39967717) is N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide is COc1ccc(NC(=O)c2ccccc2[S@](C)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide?
The InChIKey is YYZWWFJRBRMTLC-FQEVSTJZSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-12-9-7-11(8-10-12)16-15(17)13-5-3-4-6-14(13)20(2)18/h3-10H,1-2H3,(H,16,17)/t20-/m0/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide?
N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide is sourced from PubChem (CID 39967717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).