N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide

C18H19NOS — CID 175270177

IUPACN-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide
SMILESCCNC(=O)c1cccc(CSC=Cc2ccccc2)c1
InChIInChI=1S/C18H19NOS/c1-2-19-18(20)17-10-6-9-16(13-17)14-21-12-11-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,19,20)
InChIKeyHXJDTKOTQDFLHR-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.34
Rot. Bonds6

About N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide

N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide (PubChem CID 175270177) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide
PubChem CID175270177
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide
SMILESCCNC(=O)c1cccc(CSC=Cc2ccccc2)c1
InChIInChI=1S/C18H19NOS/c1-2-19-18(20)17-10-6-9-16(13-17)14-21-12-11-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,19,20)
InChIKeyHXJDTKOTQDFLHR-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3-[(E)-2-phenylethenyl]-N-propylbenzamide
CID 67215100
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
N-ethylbenzamide
CID 160772566
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110953022
N-ethylbenzamide;hydrochloride
CID 57444995
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
N-ethyl-3-hydroxybenzamide
CID 13175248
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
N-ethyl-3-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 60555743

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide?
The IUPAC name of N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide (CID 175270177) is N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide?
The canonical SMILES for N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide is CCNC(=O)c1cccc(CSC=Cc2ccccc2)c1.
What is the InChIKey of N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide?
The InChIKey is HXJDTKOTQDFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-2-19-18(20)17-10-6-9-16(13-17)14-21-12-11-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,19,20).
What are the key properties of N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide?
N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide has a molecular weight of 297.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide is sourced from PubChem (CID 175270177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).