N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide

C15H14ClNOS — CID 71199638

IUPACN-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNOS/c1-11(18)17-14-6-2-12(3-7-14)10-19-15-8-4-13(16)5-9-15/h2-9H,10H2,1H3,(H,17,18)
InChIKeyUBMWCKSEIXOJOS-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.59
Rot. Bonds4

About N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide

N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide (PubChem CID 71199638) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
PubChem CID71199638
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNOS/c1-11(18)17-14-6-2-12(3-7-14)10-19-15-8-4-13(16)5-9-15/h2-9H,10H2,1H3,(H,17,18)
InChIKeyUBMWCKSEIXOJOS-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
CID 18209765
4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
CID 27355031
2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4790020
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide
CID 3754740
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
CID 3097680
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 28635750
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553938
N-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]carbamoyl]-2-fluorobenzamide
CID 20524501
N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide
CID 8819518
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900041

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide (CID 71199638) is N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide is CC(=O)Nc1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide?
The InChIKey is UBMWCKSEIXOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-11(18)17-14-6-2-12(3-7-14)10-19-15-8-4-13(16)5-9-15/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide?
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide has a molecular weight of 291.80 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide is sourced from PubChem (CID 71199638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).