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

C25H28N4O5S — CID 118037900

IUPAC2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1N)c1ccc(OC)cc1
InChIInChI=1S/C25H28N4O5S/c1-3-29(19-13-15-20(34-2)16-14-19)24(30)22(17-18-9-5-4-6-10-18)27-25(31)28-35(32,33)23-12-8-7-11-21(23)26/h4-16,22H,3,17,26H2,1-2H3,(H2,27,28,31)
InChIKeyKYQHFSLREYIVSA-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.93
Rot. Bonds9

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

2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 118037900) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID118037900
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1N)c1ccc(OC)cc1
InChIInChI=1S/C25H28N4O5S/c1-3-29(19-13-15-20(34-2)16-14-19)24(30)22(17-18-9-5-4-6-10-18)27-25(31)28-35(32,33)23-12-8-7-11-21(23)26/h4-16,22H,3,17,26H2,1-2H3,(H2,27,28,31)
InChIKeyKYQHFSLREYIVSA-UHFFFAOYSA-N
XLogP2.93
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide
CID 122510050
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118037597
(2S)-N-ethyl-N-(4-methoxyphenyl)-2-[(2-methyl-3-thiophen-3-ylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118037803
N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 118038144
(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 144836010
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide
CID 118037736
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide
CID 135264810
(2S)-N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 118037856
N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118039042
N-(4-methoxyphenyl)-2-[[(4-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 134378241
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950537
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide
CID 122510074

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide (CID 118037900) is 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide is CCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1N)c1ccc(OC)cc1.
What is the InChIKey of 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is KYQHFSLREYIVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-3-29(19-13-15-20(34-2)16-14-19)24(30)22(17-18-9-5-4-6-10-18)27-25(31)28-35(32,33)23-12-8-7-11-21(23)26/h4-16,22H,3,17,26H2,1-2H3,(H2,27,28,31).
What are the key properties of 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide?
2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 496.59 g/mol, XLogP of 2.93, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 118037900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).