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

C18H22N2O2S — CID 119438044

IUPACN-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
SMILESCCNCc1cccc(NC(=O)c2cccc(CS(C)=O)c2)c1
InChIInChI=1S/C18H22N2O2S/c1-3-19-12-14-6-5-9-17(11-14)20-18(21)16-8-4-7-15(10-16)13-23(2)22/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyRHQGBZGMTSNIEL-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.93
Rot. Bonds7

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

N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide (PubChem CID 119438044) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
PubChem CID119438044
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
SMILESCCNCc1cccc(NC(=O)c2cccc(CS(C)=O)c2)c1
InChIInChI=1S/C18H22N2O2S/c1-3-19-12-14-6-5-9-17(11-14)20-18(21)16-8-4-7-15(10-16)13-23(2)22/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyRHQGBZGMTSNIEL-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 18146301
N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
CID 134032815
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[4-(3-methylbutanoylamino)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 134001886
N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide
CID 46678639
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
CID 46511648
N-[3-[[(S)-methylsulfinyl]methyl]phenyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 95928348
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide (CID 119438044) is N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide is CCNCc1cccc(NC(=O)c2cccc(CS(C)=O)c2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide?
The InChIKey is RHQGBZGMTSNIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-19-12-14-6-5-9-17(11-14)20-18(21)16-8-4-7-15(10-16)13-23(2)22/h4-11,19H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide?
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide has a molecular weight of 330.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide is sourced from PubChem (CID 119438044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).