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

C22H17Cl2NO2S — CID 22779195

IUPACN-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(SCC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H17Cl2NO2S/c23-19-11-6-16(13-20(19)24)21(26)14-28-18-9-7-17(8-10-18)25-22(27)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,25,27)
InChIKeyZRFRWCXKCGBHSZ-UHFFFAOYSA-N
MW430.36 g/mol
LogP6.15
Rot. Bonds7

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

N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (PubChem CID 22779195) has the molecular formula C22H17Cl2NO2S and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
PubChem CID22779195
Molecular FormulaC22H17Cl2NO2S
Molecular Weight430.36 g/mol
Exact Mass429.04
IUPAC NameN-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(SCC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H17Cl2NO2S/c23-19-11-6-16(13-20(19)24)21(26)14-28-18-9-7-17(8-10-18)25-22(27)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,25,27)
InChIKeyZRFRWCXKCGBHSZ-UHFFFAOYSA-N
XLogP6.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.36
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
CID 6421543
(E)-4-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22784722
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 22782755
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22779188
2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22779193
2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 23098450
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22776204
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 23095508

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (CID 22779195) is N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(SCC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The InChIKey is ZRFRWCXKCGBHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2S/c23-19-11-6-16(13-20(19)24)21(26)14-28-18-9-7-17(8-10-18)25-22(27)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,25,27).
What are the key properties of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide has a molecular weight of 430.36 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is sourced from PubChem (CID 22779195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).