N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide

C17H17NO3S — CID 134032815

IUPACN-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(CS(C)=O)c2)cc1
InChIInChI=1S/C17H17NO3S/c1-12(19)14-6-8-16(9-7-14)18-17(20)15-5-3-4-13(10-15)11-22(2)21/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyWKXIDKQHMYGHJO-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.02
Rot. Bonds5

About N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide

N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide (PubChem CID 134032815) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
PubChem CID134032815
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC NameN-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(CS(C)=O)c2)cc1
InChIInChI=1S/C17H17NO3S/c1-12(19)14-6-8-16(9-7-14)18-17(20)15-5-3-4-13(10-15)11-22(2)21/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyWKXIDKQHMYGHJO-UHFFFAOYSA-N
XLogP3.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 134001886
N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 18146301
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide
CID 46678639
3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 75526163
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
CID 46511648
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(methylsulfinylmethyl)benzamide
CID 18153700
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
CID 112988228
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295
3-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052615

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide?
The IUPAC name of N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide (CID 134032815) is N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide is CC(=O)c1ccc(NC(=O)c2cccc(CS(C)=O)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide?
The InChIKey is WKXIDKQHMYGHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-12(19)14-6-8-16(9-7-14)18-17(20)15-5-3-4-13(10-15)11-22(2)21/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide?
N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide has a molecular weight of 315.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide is sourced from PubChem (CID 134032815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).