2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide

C16H18N2OS — CID 61104682

IUPAC2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
SMILESCCSc1ccccc1NC(=O)c1cccc(C)c1N
InChIInChI=1S/C16H18N2OS/c1-3-20-14-10-5-4-9-13(14)18-16(19)12-8-6-7-11(2)15(12)17/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyWNFAWQOFJRCKKO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.94
Rot. Bonds4

About 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide

2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide (PubChem CID 61104682) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
PubChem CID61104682
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
SMILESCCSc1ccccc1NC(=O)c1cccc(C)c1N
InChIInChI=1S/C16H18N2OS/c1-3-20-14-10-5-4-9-13(14)18-16(19)12-8-6-7-11(2)15(12)17/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyWNFAWQOFJRCKKO-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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

2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
CID 115540166
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 61111804
2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbenzamide
CID 102903119
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
CID 66124650

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide (CID 61104682) is 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide is CCSc1ccccc1NC(=O)c1cccc(C)c1N.
What is the InChIKey of 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide?
The InChIKey is WNFAWQOFJRCKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-20-14-10-5-4-9-13(14)18-16(19)12-8-6-7-11(2)15(12)17/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide?
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide has a molecular weight of 286.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide is sourced from PubChem (CID 61104682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).