N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide

C16H16ClNOS — CID 846476

IUPACN-benzyl-3-(4-chlorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C16H16ClNOS/c17-14-6-8-15(9-7-14)20-11-10-16(19)18-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeyYYCUDBFPZAJOHX-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.14
Rot. Bonds6

About N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide

N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 846476) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID846476
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-benzyl-3-(4-chlorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C16H16ClNOS/c17-14-6-8-15(9-7-14)20-11-10-16(19)18-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeyYYCUDBFPZAJOHX-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
CID 3277297
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-benzyl-2-phenylsulfanylacetamide
CID 846429
N-(1-phenylethyl)-2-(phenylthio)acetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
A-350619
CID 11111893
2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752
N-(2-phenylethyl)-2-(phenylsulfanyl)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
2-chloro-N-[2-(phenylsulfanyl)ethyl]benzamide
CID 2284706

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide (CID 846476) is N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is YYCUDBFPZAJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c17-14-6-8-15(9-7-14)20-11-10-16(19)18-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide?
N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 305.83 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 846476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).