N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide

C17H18N2O3S — CID 18146301

IUPACN-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(CS(C)=O)c2)c1
InChIInChI=1S/C17H18N2O3S/c1-18-16(20)14-7-4-8-15(10-14)19-17(21)13-6-3-5-12(9-13)11-23(2)22/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWNZROGORSPSERB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.18
Rot. Bonds5

About N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide

N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide (PubChem CID 18146301) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
PubChem CID18146301
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(CS(C)=O)c2)c1
InChIInChI=1S/C17H18N2O3S/c1-18-16(20)14-7-4-8-15(10-14)19-17(21)13-6-3-5-12(9-13)11-23(2)22/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWNZROGORSPSERB-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
CID 134032815
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
N-[4-(3-methylbutanoylamino)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 134001886
N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide
CID 46678639
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
CID 46511648
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-[3-(tert-butylsulfinylmethyl)phenyl]-3-(carbamoylamino)benzamide
CID 119134253
3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 75526163

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide (CID 18146301) is N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide is CNC(=O)c1cccc(NC(=O)c2cccc(CS(C)=O)c2)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide?
The InChIKey is WNZROGORSPSERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-18-16(20)14-7-4-8-15(10-14)19-17(21)13-6-3-5-12(9-13)11-23(2)22/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide?
N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide is sourced from PubChem (CID 18146301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).