2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide

C30H27N5O3S — CID 23646208

IUPAC2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C30H27N5O3S/c31-29(32)21-12-15-27-24(17-21)26(18-34-27)25(16-19-6-2-1-3-7-19)30(36)35-22-13-10-20(11-14-22)23-8-4-5-9-28(23)39(33,37)38/h1-15,17-18,25,34H,16H2,(H3,31,32)(H,35,36)(H2,33,37,38)
InChIKeySRWVIUSCTTYZOM-UHFFFAOYSA-N
MW537.65 g/mol
LogP4.73
Rot. Bonds8

About 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide

2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide (PubChem CID 23646208) has the molecular formula C30H27N5O3S and a molecular weight of 537.65 g/mol. Its IUPAC name is 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide
PubChem CID23646208
Molecular FormulaC30H27N5O3S
Molecular Weight537.65 g/mol
Exact Mass537.18
IUPAC Name2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C30H27N5O3S/c31-29(32)21-12-15-27-24(17-21)26(18-34-27)25(16-19-6-2-1-3-7-19)30(36)35-22-13-10-20(11-14-22)23-8-4-5-9-28(23)39(33,37)38/h1-15,17-18,25,34H,16H2,(H3,31,32)(H,35,36)(H2,33,37,38)
InChIKeySRWVIUSCTTYZOM-UHFFFAOYSA-N
XLogP4.73
TPSA154.92 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.65
LogP ≤ 54.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide 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

cis-methyl (1R,2S)-2-[[2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenylpropanoyl]amino]cyclohexane-1-carboxylate
CID 23646282
2-(3-carbamimidoylanilino)-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 10278610
(2S)-2-(3-carbamimidoylanilino)-N-[4-(2-methylsulfonylphenyl)phenyl]-3-phenylpropanamide
CID 154082295
2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide
CID 18800618
2-(3-carbamimidoylphenoxy)-N-[4-(2-sulfamoylphenyl)phenyl]heptanamide
CID 10228454
3-(3-carbamimidoylphenyl)-4,4,4-trifluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 54421193
(3S)-3-(3-carbamimidoylanilino)-4-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide
CID 151802452
6-carbamimidoyl-2-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 151427042
3-(1-aminoisoquinolin-7-yl)-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide
CID 54112183
2-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10389524
2-(7-carbamimidoylnaphthalen-2-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylacetamide
CID 20870622
2-[1-(5-carbamimidoyl-2-hydroxyphenyl)piperazin-2-yl]-2-cyclohexyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 135960694

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide?
The IUPAC name of 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide (CID 23646208) is 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide.
What is the SMILES notation for 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide?
The canonical SMILES for 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide is [H]/N=C(\N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1.
What is the InChIKey of 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide?
The InChIKey is SRWVIUSCTTYZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3S/c31-29(32)21-12-15-27-24(17-21)26(18-34-27)25(16-19-6-2-1-3-7-19)30(36)35-22-13-10-20(11-14-22)23-8-4-5-9-28(23)39(33,37)38/h1-15,17-18,25,34H,16H2,(H3,31,32)(H,35,36)(H2,33,37,38).
What are the key properties of 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide?
2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide has a molecular weight of 537.65 g/mol, XLogP of 4.73, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide is sourced from PubChem (CID 23646208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).