2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide

C25H28N2O4S — CID 43889138

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-31-22-14-16-23(17-15-22)32(29,30)27-24(18-20-10-6-4-7-11-20)25(28)26-19(2)21-12-8-5-9-13-21/h4-17,19,24,27H,3,18H2,1-2H3,(H,26,28)
InChIKeyQQDOZSNPYSKNPQ-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.85
Rot. Bonds10

About 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide

2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide (PubChem CID 43889138) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide
PubChem CID43889138
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-31-22-14-16-23(17-15-22)32(29,30)27-24(18-20-10-6-4-7-11-20)25(28)26-19(2)21-12-8-5-9-13-21/h4-17,19,24,27H,3,18H2,1-2H3,(H,26,28)
InChIKeyQQDOZSNPYSKNPQ-UHFFFAOYSA-N
XLogP3.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43889186
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 30144497
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 30143939
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891417
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 41374254
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 30167342
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645904
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645902
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide (CID 43889138) is 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide is CCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide?
The InChIKey is QQDOZSNPYSKNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-3-31-22-14-16-23(17-15-22)32(29,30)27-24(18-20-10-6-4-7-11-20)25(28)26-19(2)21-12-8-5-9-13-21/h4-17,19,24,27H,3,18H2,1-2H3,(H,26,28).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide?
2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide has a molecular weight of 452.58 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 43889138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).