N-(2-ethylphenyl)-2-methylsulfanylbenzamide

C16H17NOS — CID 973960

IUPACN-(2-ethylphenyl)-2-methylsulfanylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C16H17NOS/c1-3-12-8-4-6-10-14(12)17-16(18)13-9-5-7-11-15(13)19-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyBWLWVIXSYGSVJO-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.22
Rot. Bonds4

About N-(2-ethylphenyl)-2-methylsulfanylbenzamide

N-(2-ethylphenyl)-2-methylsulfanylbenzamide (PubChem CID 973960) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methylsulfanylbenzamide
PubChem CID973960
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-(2-ethylphenyl)-2-methylsulfanylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C16H17NOS/c1-3-12-8-4-6-10-14(12)17-16(18)13-9-5-7-11-15(13)19-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyBWLWVIXSYGSVJO-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide
CID 2996847
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
CID 112846156
N-(2-ethylphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 1299111
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-ethylphenyl)-2-methylsulfanylbenzamide (CID 973960) is N-(2-ethylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methylsulfanylbenzamide is CCc1ccccc1NC(=O)c1ccccc1SC.
What is the InChIKey of N-(2-ethylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is BWLWVIXSYGSVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-3-12-8-4-6-10-14(12)17-16(18)13-9-5-7-11-15(13)19-2/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethylphenyl)-2-methylsulfanylbenzamide?
N-(2-ethylphenyl)-2-methylsulfanylbenzamide has a molecular weight of 271.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 973960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).