(E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide

C26H24N4O5S2 — CID 155677008

IUPAC(E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccccc2)c1S(=O)(=O)n1ccc(/C=C/C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C26H24N4O5S2/c1-36(32,33)29-24-13-7-10-21(20-8-3-2-4-9-20)26(24)37(34,35)30-17-16-19(18-30)14-15-25(31)28-23-12-6-5-11-22(23)27/h2-18,29H,27H2,1H3,(H,28,31)/b15-14+
InChIKeyZQPDVLUBRMEJON-CCEZHUSRSA-N
MW536.64 g/mol
LogP4.00
Rot. Bonds8

About (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide (PubChem CID 155677008) has the molecular formula C26H24N4O5S2 and a molecular weight of 536.64 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
PubChem CID155677008
Molecular FormulaC26H24N4O5S2
Molecular Weight536.64 g/mol
Exact Mass536.12
IUPAC Name(E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccccc2)c1S(=O)(=O)n1ccc(/C=C/C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C26H24N4O5S2/c1-36(32,33)29-24-13-7-10-21(20-8-3-2-4-9-20)26(24)37(34,35)30-17-16-19(18-30)14-15-25(31)28-23-12-6-5-11-22(23)27/h2-18,29H,27H2,1H3,(H,28,31)/b15-14+
InChIKeyZQPDVLUBRMEJON-CCEZHUSRSA-N
XLogP4.00
TPSA140.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide 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

(E)-3-[1-(2-acetamido-6-phenylphenyl)sulfonylpyrrol-3-yl]-N-(2-aminophenyl)prop-2-enamide
CID 154636029
N-(2-aminophenyl)-3-[1-[4-[3-(methanesulfonamido)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 68526538
(E)-3-[1-(2-acetamido-4-phenylphenyl)sulfonylpyrrol-3-yl]-N-(2-aminophenyl)prop-2-enamide
CID 68640860
N-(2-aminophenyl)-3-[1-[3-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 68528273
(E)-N-(2-aminophenyl)-3-[1-[4-[4-(dimethylsulfamoyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 15985198
N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide
CID 67188234
(E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide
CID 154636018
(E)-N-(2-aminophenyl)-3-[1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpyrrol-3-yl]prop-2-enamide
CID 11604830
(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 154636041
N-(2-aminophenyl)-3-[1-[1-[(hexadecylamino)methyl]-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 68641271
(E)-N-(2-aminophenyl)-3-[1-[4-phenyl-1-(2-pyrrolidin-1-ylethoxy)cyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87865374
2-[4-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-6-[4-(trifluoromethyl)phenyl]benzamide
CID 151753400

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide (CID 155677008) is (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide is CS(=O)(=O)Nc1cccc(-c2ccccc2)c1S(=O)(=O)n1ccc(/C=C/C(=O)Nc2ccccc2N)c1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The InChIKey is ZQPDVLUBRMEJON-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H24N4O5S2/c1-36(32,33)29-24-13-7-10-21(20-8-3-2-4-9-20)26(24)37(34,35)30-17-16-19(18-30)14-15-25(31)28-23-12-6-5-11-22(23)27/h2-18,29H,27H2,1H3,(H,28,31)/b15-14+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide has a molecular weight of 536.64 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide is sourced from PubChem (CID 155677008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).