N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide

C14H11Cl2NOS — CID 767057

IUPACN-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NOS/c15-12-7-6-10(8-13(12)16)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyIQBRBXBMNAFEOX-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.72
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide

N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide (PubChem CID 767057) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
PubChem CID767057
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC NameN-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NOS/c15-12-7-6-10(8-13(12)16)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyIQBRBXBMNAFEOX-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908218
N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 21435947
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79130934
4-[[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896494
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3424280
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907642

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide (CID 767057) is N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide?
The InChIKey is IQBRBXBMNAFEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c15-12-7-6-10(8-13(12)16)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide?
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide has a molecular weight of 312.22 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 767057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).