N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide

C15H13Cl2NOS — CID 2272588

IUPACN-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NOS/c16-12-3-1-11(2-4-12)9-20-10-15(19)18-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyULNWUIBAHCOJEO-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.87
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide

N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 2272588) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
PubChem CID2272588
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC NameN-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NOS/c16-12-3-1-11(2-4-12)9-20-10-15(19)18-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyULNWUIBAHCOJEO-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 28896163
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 6969899
[2-(4-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate
CID 55310798
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
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2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 33288226
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 2075802
(4-chlorophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812349
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]acetamide
CID 1300962
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
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CID 2239528

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide (CID 2272588) is N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is ULNWUIBAHCOJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c16-12-3-1-11(2-4-12)9-20-10-15(19)18-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 326.25 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 2272588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).