N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide

C19H22N2O2S — CID 26371180

IUPACN-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSCc2cccc(C)c2)c1
InChIInChI=1S/C19H22N2O2S/c1-3-20-19(23)16-8-5-9-17(11-16)21-18(22)13-24-12-15-7-4-6-14(2)10-15/h4-11H,3,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJRUHFNCFZPKXMF-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.62
Rot. Bonds7

About N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide

N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide (PubChem CID 26371180) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide
PubChem CID26371180
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSCc2cccc(C)c2)c1
InChIInChI=1S/C19H22N2O2S/c1-3-20-19(23)16-8-5-9-17(11-16)21-18(22)13-24-12-15-7-4-6-14(2)10-15/h4-11H,3,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJRUHFNCFZPKXMF-UHFFFAOYSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9095730
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 38585805
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
3-acetamido-N-ethylbenzamide
CID 17230670
2-methyl-N-[3-[[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]butanamide
CID 55749580
N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78912963
N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide (CID 26371180) is N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CSCc2cccc(C)c2)c1.
What is the InChIKey of N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is JRUHFNCFZPKXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-20-19(23)16-8-5-9-17(11-16)21-18(22)13-24-12-15-7-4-6-14(2)10-15/h4-11H,3,12-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide?
N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 26371180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).