4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide

C16H16ClNOS — CID 43874065

IUPAC4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc(C(C)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNOS/c1-11(12-5-9-15(20-2)10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H,18,19)
InChIKeyPYNRILFLOXOACH-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.55
Rot. Bonds4

About 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide

4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 43874065) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID43874065
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc(C(C)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNOS/c1-11(12-5-9-15(20-2)10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H,18,19)
InChIKeyPYNRILFLOXOACH-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107951925
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
2,4-dichloro-5-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46436682
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46440684
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide (CID 43874065) is 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide is CSc1ccc(C(C)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is PYNRILFLOXOACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-11(12-5-9-15(20-2)10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide has a molecular weight of 305.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 43874065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).