3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

C25H28N2O5S — CID 3618581

IUPAC3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-31-21-10-8-20(9-11-21)24(18-25(28)26-17-16-19-6-4-3-5-7-19)27-33(29,30)23-14-12-22(32-2)13-15-23/h3-15,24,27H,16-18H2,1-2H3,(H,26,28)
InChIKeyNEORHYPUIJFHAH-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.47
Rot. Bonds11

About 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (PubChem CID 3618581) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
PubChem CID3618581
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-31-21-10-8-20(9-11-21)24(18-25(28)26-17-16-19-6-4-3-5-7-19)27-33(29,30)23-14-12-22(32-2)13-15-23/h3-15,24,27H,16-18H2,1-2H3,(H,26,28)
InChIKeyNEORHYPUIJFHAH-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 92698426
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
(3S)-N-heptyl-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98363690
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4197939
3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-octylpropanamide
CID 46371459
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927410
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (CID 3618581) is 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is COc1ccc(C(CC(=O)NCCc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The InChIKey is NEORHYPUIJFHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-31-21-10-8-20(9-11-21)24(18-25(28)26-17-16-19-6-4-3-5-7-19)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 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide has a molecular weight of 468.58 g/mol, XLogP of 3.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3618581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).