3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide

C27H21ClN2O3S — CID 23098901

IUPAC3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2cccc(Cl)c2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H21ClN2O3S/c28-20-6-4-5-19(17-20)27(32)30-22-11-15-25(16-12-22)34-18-26(31)29-21-9-13-24(14-10-21)33-23-7-2-1-3-8-23/h1-17H,18H2,(H,29,31)(H,30,32)
InChIKeySWEDXIFRVMEVPR-UHFFFAOYSA-N
MW489.00 g/mol
LogP7.12
Rot. Bonds8

About 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide

3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide (PubChem CID 23098901) has the molecular formula C27H21ClN2O3S and a molecular weight of 489.00 g/mol. Its IUPAC name is 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
PubChem CID23098901
Molecular FormulaC27H21ClN2O3S
Molecular Weight489.00 g/mol
Exact Mass488.10
IUPAC Name3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2cccc(Cl)c2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H21ClN2O3S/c28-20-6-4-5-19(17-20)27(32)30-22-11-15-25(16-12-22)34-18-26(31)29-21-9-13-24(14-10-21)33-23-7-2-1-3-8-23/h1-17H,18H2,(H,29,31)(H,30,32)
InChIKeySWEDXIFRVMEVPR-UHFFFAOYSA-N
XLogP7.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.00
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22781799
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095520
4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 18904222
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095521
3-chloro-N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 23099959
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22782821
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22781328
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22778750

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide (CID 23098901) is 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide is O=C(CSc1ccc(NC(=O)c2cccc(Cl)c2)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide?
The InChIKey is SWEDXIFRVMEVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O3S/c28-20-6-4-5-19(17-20)27(32)30-22-11-15-25(16-12-22)34-18-26(31)29-21-9-13-24(14-10-21)33-23-7-2-1-3-8-23/h1-17H,18H2,(H,29,31)(H,30,32).
What are the key properties of 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide?
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide has a molecular weight of 489.00 g/mol, XLogP of 7.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 23098901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).