N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

C25H28N2O5S — CID 43890705

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-31-21-10-8-19(9-11-21)16-17-26-25(28)24(18-20-6-4-3-5-7-20)27-33(29,30)23-14-12-22(32-2)13-15-23/h3-15,24,27H,16-18H2,1-2H3,(H,26,28)
InChIKeyWBSTWOMXCXSZMZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.95
Rot. Bonds11

About N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43890705) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43890705
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-31-21-10-8-19(9-11-21)16-17-26-25(28)24(18-20-6-4-3-5-7-20)27-33(29,30)23-14-12-22(32-2)13-15-23/h3-15,24,27H,16-18H2,1-2H3,(H,26,28)
InChIKeyWBSTWOMXCXSZMZ-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)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 43870750
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538195
2-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)-3,4-dioxo-4-(2-phenylethylamino)butan-2-yl]-4-methylpentanamide
CID 10167086
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide
CID 15453074
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581
(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 101267303
N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890775
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 30167382

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 43890705) is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(CCNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is WBSTWOMXCXSZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-31-21-10-8-19(9-11-21)16-17-26-25(28)24(18-20-6-4-3-5-7-20)27-33(29,30)23-14-12-22(32-2)13-15-23/h3-15,24,27H,16-18H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide 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 N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43890705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).