2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide

C25H28N2O5S — CID 43870750

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-31-23-14-13-21(18-24(23)32-2)33(29,30)27-22(17-20-11-7-4-8-12-20)25(28)26-16-15-19-9-5-3-6-10-19/h3-14,18,22,27H,15-17H2,1-2H3,(H,26,28)
InChIKeyFMPIGJVWFIUONS-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.95
Rot. Bonds11

About 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide

2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 43870750) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID43870750
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-31-23-14-13-21(18-24(23)32-2)33(29,30)27-22(17-20-11-7-4-8-12-20)25(28)26-16-15-19-9-5-3-6-10-19/h3-14,18,22,27H,15-17H2,1-2H3,(H,26,28)
InChIKeyFMPIGJVWFIUONS-UHFFFAOYSA-N
XLogP2.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538195
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28538128
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28538144
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874784
N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870745
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28538234
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
CID 28538298
(2R)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538432
N-(3-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870844

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide (CID 43870750) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is FMPIGJVWFIUONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-31-23-14-13-21(18-24(23)32-2)33(29,30)27-22(17-20-11-7-4-8-12-20)25(28)26-16-15-19-9-5-3-6-10-19/h3-14,18,22,27H,15-17H2,1-2H3,(H,26,28).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 468.58 g/mol, XLogP of 2.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 43870750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).