2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide

C31H30N2O3S — CID 23101069

IUPAC2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(Sc2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O3S/c1-22(2)23-13-15-26(16-14-23)33-31(35)30(24-9-5-3-6-10-24)37-28-19-17-25(18-20-28)32-29(34)21-36-27-11-7-4-8-12-27/h3-20,22,30H,21H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyHICCTRZYCMUVEO-UHFFFAOYSA-N
MW510.66 g/mol
LogP7.30
Rot. Bonds10

About 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide

2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 23101069) has the molecular formula C31H30N2O3S and a molecular weight of 510.66 g/mol. Its IUPAC name is 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID23101069
Molecular FormulaC31H30N2O3S
Molecular Weight510.66 g/mol
Exact Mass510.20
IUPAC Name2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(Sc2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O3S/c1-22(2)23-13-15-26(16-14-23)33-31(35)30(24-9-5-3-6-10-24)37-28-19-17-25(18-20-28)32-29(34)21-36-27-11-7-4-8-12-27/h3-20,22,30H,21H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyHICCTRZYCMUVEO-UHFFFAOYSA-N
XLogP7.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.66
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 22782289
N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 23101245
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
N-(5-chloro-2-methoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 21168503
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 21168769
4-[4-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786434
2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
CID 2905293
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
4-[4-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786389
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide (CID 23101069) is 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)C(Sc2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is HICCTRZYCMUVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3S/c1-22(2)23-13-15-26(16-14-23)33-31(35)30(24-9-5-3-6-10-24)37-28-19-17-25(18-20-28)32-29(34)21-36-27-11-7-4-8-12-27/h3-20,22,30H,21H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 510.66 g/mol, XLogP of 7.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 23101069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).