N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide

C22H19ClN2O2S — CID 22775721

IUPACN-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(CSc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)Nc1ccccc1
InChIInChI=1S/C22H19ClN2O2S/c23-17-8-6-16(7-9-17)14-21(26)24-19-10-12-20(13-11-19)28-15-22(27)25-18-4-2-1-3-5-18/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyXSNBFFNPHPBNNT-UHFFFAOYSA-N
MW410.93 g/mol
LogP5.25
Rot. Bonds7

About N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide

N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 22775721) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
PubChem CID22775721
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC NameN-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(CSc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)Nc1ccccc1
InChIInChI=1S/C22H19ClN2O2S/c23-17-8-6-16(7-9-17)14-21(26)24-19-10-12-20(13-11-19)28-15-22(27)25-18-4-2-1-3-5-18/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyXSNBFFNPHPBNNT-UHFFFAOYSA-N
XLogP5.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22779193
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
2-(4-chlorophenyl)-N-[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]acetamide
CID 23099331
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 7603938
2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22776204
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 18902448

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide (CID 22775721) is N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide is O=C(CSc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)Nc1ccccc1.
What is the InChIKey of N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is XSNBFFNPHPBNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c23-17-8-6-16(7-9-17)14-21(26)24-19-10-12-20(13-11-19)28-15-22(27)25-18-4-2-1-3-5-18/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 410.93 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 22775721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).