N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide

C15H13Cl2NOS — CID 18209765

IUPACN-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NOS/c1-10(19)18-12-3-5-13(6-4-12)20-9-11-2-7-14(16)15(17)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyRFKUFQJVPCLLCA-UHFFFAOYSA-N
MW326.25 g/mol
LogP5.24
Rot. Bonds4

About N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide

N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide (PubChem CID 18209765) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
PubChem CID18209765
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC NameN-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NOS/c1-10(19)18-12-3-5-13(6-4-12)20-9-11-2-7-14(16)15(17)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyRFKUFQJVPCLLCA-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.25
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
CID 27355031
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844
4-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79150188
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
1-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100599339
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126414923
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide
CID 3754740
methyl 4-[(3,4-dichlorophenyl)sulfanylmethyl]-2-fluorobenzoate
CID 106698679
2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2094790
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide (CID 18209765) is N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide?
The InChIKey is RFKUFQJVPCLLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c1-10(19)18-12-3-5-13(6-4-12)20-9-11-2-7-14(16)15(17)8-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide?
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide has a molecular weight of 326.25 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 18209765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).