N-(3-ethylphenyl)-2-methylsulfanylbenzamide

C16H17NOS — CID 2591348

IUPACN-(3-ethylphenyl)-2-methylsulfanylbenzamide
SMILESCCc1cccc(NC(=O)c2ccccc2SC)c1
InChIInChI=1S/C16H17NOS/c1-3-12-7-6-8-13(11-12)17-16(18)14-9-4-5-10-15(14)19-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyKSYPBBQDTVMRGO-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.22
Rot. Bonds4

About N-(3-ethylphenyl)-2-methylsulfanylbenzamide

N-(3-ethylphenyl)-2-methylsulfanylbenzamide (PubChem CID 2591348) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-methylsulfanylbenzamide
PubChem CID2591348
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-(3-ethylphenyl)-2-methylsulfanylbenzamide
SMILESCCc1cccc(NC(=O)c2ccccc2SC)c1
InChIInChI=1S/C16H17NOS/c1-3-12-7-6-8-13(11-12)17-16(18)14-9-4-5-10-15(14)19-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyKSYPBBQDTVMRGO-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

methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(3-ethylphenyl)-2-methylsulfanylbenzamide (CID 2591348) is N-(3-ethylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(3-ethylphenyl)-2-methylsulfanylbenzamide is CCc1cccc(NC(=O)c2ccccc2SC)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is KSYPBBQDTVMRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-3-12-7-6-8-13(11-12)17-16(18)14-9-4-5-10-15(14)19-2/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(3-ethylphenyl)-2-methylsulfanylbenzamide?
N-(3-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-(3-ethylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 2591348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).