N-ethyl-2-(2-sulfanylphenyl)benzamide

C15H15NOS — CID 139949970

IUPACN-ethyl-2-(2-sulfanylphenyl)benzamide
SMILESCCNC(=O)c1ccccc1-c1ccccc1S
InChIInChI=1S/C15H15NOS/c1-2-16-15(17)13-9-4-3-7-11(13)12-8-5-6-10-14(12)18/h3-10,18H,2H2,1H3,(H,16,17)
InChIKeyHDVHSBVYMURWRG-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.39
Rot. Bonds3

About N-ethyl-2-(2-sulfanylphenyl)benzamide

N-ethyl-2-(2-sulfanylphenyl)benzamide (PubChem CID 139949970) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-2-(2-sulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-(2-sulfanylphenyl)benzamide
PubChem CID139949970
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-ethyl-2-(2-sulfanylphenyl)benzamide
SMILESCCNC(=O)c1ccccc1-c1ccccc1S
InChIInChI=1S/C15H15NOS/c1-2-16-15(17)13-9-4-3-7-11(13)12-8-5-6-10-14(12)18/h3-10,18H,2H2,1H3,(H,16,17)
InChIKeyHDVHSBVYMURWRG-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-sulfanylphenyl)benzamide?
The IUPAC name of N-ethyl-2-(2-sulfanylphenyl)benzamide (CID 139949970) is N-ethyl-2-(2-sulfanylphenyl)benzamide.
What is the SMILES notation for N-ethyl-2-(2-sulfanylphenyl)benzamide?
The canonical SMILES for N-ethyl-2-(2-sulfanylphenyl)benzamide is CCNC(=O)c1ccccc1-c1ccccc1S.
What is the InChIKey of N-ethyl-2-(2-sulfanylphenyl)benzamide?
The InChIKey is HDVHSBVYMURWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-2-16-15(17)13-9-4-3-7-11(13)12-8-5-6-10-14(12)18/h3-10,18H,2H2,1H3,(H,16,17).
What are the key properties of N-ethyl-2-(2-sulfanylphenyl)benzamide?
N-ethyl-2-(2-sulfanylphenyl)benzamide has a molecular weight of 257.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-sulfanylphenyl)benzamide is sourced from PubChem (CID 139949970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).