2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide

C22H19ClN2O3S — CID 24676484

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-15(26)24-17-8-10-19(11-9-17)29-14-22(27)25-20-13-16(23)7-12-21(20)28-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyDYHKXVVHIVQSBB-UHFFFAOYSA-N
MW426.93 g/mol
LogP5.82
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide (PubChem CID 24676484) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide
PubChem CID24676484
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-15(26)24-17-8-10-19(11-9-17)29-14-22(27)25-20-13-16(23)7-12-21(20)28-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyDYHKXVVHIVQSBB-UHFFFAOYSA-N
XLogP5.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
2-(4-acetamidophenyl)-N-[5-chloro-2-(4-methylphenoxy)phenyl]acetamide
CID 18195978
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
tert-butyl N-[2-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84553596
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 23098901
N-(5-chloro-2-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316382
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095521
2-[[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785276
N-[(Z)-3-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-(2,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 22190313

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide (CID 24676484) is 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide?
The InChIKey is DYHKXVVHIVQSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-15(26)24-17-8-10-19(11-9-17)29-14-22(27)25-20-13-16(23)7-12-21(20)28-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide has a molecular weight of 426.93 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 24676484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).