N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide

C22H18Cl2N2O2S — CID 22781801

IUPACN-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
SMILESO=C(CSc1ccc(NC(=O)Cc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O2S/c23-19-11-8-17(13-20(19)24)26-22(28)14-29-18-9-6-16(7-10-18)25-21(27)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,25,27)(H,26,28)
InChIKeyDLJROPAUXQCJCN-UHFFFAOYSA-N
MW445.37 g/mol
LogP5.91
Rot. Bonds7

About N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide

N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (PubChem CID 22781801) has the molecular formula C22H18Cl2N2O2S and a molecular weight of 445.37 g/mol. Its IUPAC name is N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
PubChem CID22781801
Molecular FormulaC22H18Cl2N2O2S
Molecular Weight445.37 g/mol
Exact Mass444.05
IUPAC NameN-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
SMILESO=C(CSc1ccc(NC(=O)Cc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O2S/c23-19-11-8-17(13-20(19)24)26-22(28)14-29-18-9-6-16(7-10-18)25-21(27)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,25,27)(H,26,28)
InChIKeyDLJROPAUXQCJCN-UHFFFAOYSA-N
XLogP5.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.37
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22779195
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842
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-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095520
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (CID 22781801) is N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is O=C(CSc1ccc(NC(=O)Cc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The InChIKey is DLJROPAUXQCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2S/c23-19-11-8-17(13-20(19)24)26-22(28)14-29-18-9-6-16(7-10-18)25-21(27)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide has a molecular weight of 445.37 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is sourced from PubChem (CID 22781801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).