3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide

C16H18N2OS — CID 83000084

IUPAC3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide
SMILESCCNC(=O)c1ccc(Sc2cccc(C)c2)c(N)c1
InChIInChI=1S/C16H18N2OS/c1-3-18-16(19)12-7-8-15(14(17)10-12)20-13-6-4-5-11(2)9-13/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyNHUYELXMEUAIAX-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.48
Rot. Bonds4

About 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide

3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide (PubChem CID 83000084) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide
PubChem CID83000084
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide
SMILESCCNC(=O)c1ccc(Sc2cccc(C)c2)c(N)c1
InChIInChI=1S/C16H18N2OS/c1-3-18-16(19)12-7-8-15(14(17)10-12)20-13-6-4-5-11(2)9-13/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyNHUYELXMEUAIAX-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide
CID 63358524
3-amino-N-ethyl-4-ethylsulfanylbenzamide
CID 83000148
3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 83000151
3-amino-N-ethyl-4-(4-hydroxybutan-2-ylsulfanyl)benzamide
CID 83000510
2-(3-methylphenyl)sulfanyl-5-methylsulfonylaniline
CID 61244889
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)aniline
CID 63538392
3-amino-4-phenylsulfanylbenzoic acid
CID 12590364
4-amino-N-ethyl-3-(3-methylsulfanylanilino)benzamide
CID 63360686
3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide
CID 107596572
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 5060578
3-methyl-N-(2-methylpropyl)benzamide
CID 835315

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide?
The IUPAC name of 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide (CID 83000084) is 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide is CCNC(=O)c1ccc(Sc2cccc(C)c2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide?
The InChIKey is NHUYELXMEUAIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-18-16(19)12-7-8-15(14(17)10-12)20-13-6-4-5-11(2)9-13/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide?
3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide has a molecular weight of 286.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide is sourced from PubChem (CID 83000084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).