4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide

C16H16ClNOS — CID 757805

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNOS/c1-2-18-16(19)13-5-3-12(4-6-13)11-20-15-9-7-14(17)8-10-15/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyJVFRXJMJJBGRRB-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.38
Rot. Bonds5

About 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide

4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide (PubChem CID 757805) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide
PubChem CID757805
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNOS/c1-2-18-16(19)13-5-3-12(4-6-13)11-20-15-9-7-14(17)8-10-15/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyJVFRXJMJJBGRRB-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide (CID 757805) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide?
The InChIKey is JVFRXJMJJBGRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-2-18-16(19)13-5-3-12(4-6-13)11-20-15-9-7-14(17)8-10-15/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide?
4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide has a molecular weight of 305.83 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylbenzamide is sourced from PubChem (CID 757805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).