N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide

C24H25N3O3S — CID 142030083

IUPACN-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide
SMILESC=C(N)c1cccc(CCCNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
InChIInChI=1S/C24H25N3O3S/c1-17(25)21-8-4-6-18(16-21)7-5-15-27-24(28)20-13-11-19(12-14-20)22-9-2-3-10-23(22)31(26,29)30/h2-4,6,8-14,16H,1,5,7,15,25H2,(H,27,28)(H2,26,29,30)
InChIKeyXKGOXYRIQBHVFL-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.29
Rot. Bonds8

About N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide

N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide (PubChem CID 142030083) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound NameN-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide
PubChem CID142030083
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide
SMILESC=C(N)c1cccc(CCCNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
InChIInChI=1S/C24H25N3O3S/c1-17(25)21-8-4-6-18(16-21)7-5-15-27-24(28)20-13-11-19(12-14-20)22-9-2-3-10-23(22)31(26,29)30/h2-4,6,8-14,16H,1,5,7,15,25H2,(H,27,28)(H2,26,29,30)
InChIKeyXKGOXYRIQBHVFL-UHFFFAOYSA-N
XLogP3.29
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide
CID 10207318
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
N-[3-(4,5-difluoro-2-nitroanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide
CID 10118025
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
N-butyl-3-(4-hydroxybutyl)benzamide
CID 54320849
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 46520228
2-[3-(1-aminoethenyl)phenoxy]-5-nitro-N-[4-(2-sulfamoylphenyl)phenyl]benzamide
CID 142082839
N-[(3-hydroxyphenyl)methyl]-2,3-dimethyl-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide
CID 174231881
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
3-[(2-methoxyethylamino)-[[4-(2-sulfamoylphenyl)benzoyl]amino]amino]benzenecarboximidamide
CID 175240904
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2,3-dihydro-1H-benzotriazole-5-carboxamide
CID 176943782
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide?
The IUPAC name of N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide (CID 142030083) is N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide is C=C(N)c1cccc(CCCNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1.
What is the InChIKey of N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide?
The InChIKey is XKGOXYRIQBHVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-17(25)21-8-4-6-18(16-21)7-5-15-27-24(28)20-13-11-19(12-14-20)22-9-2-3-10-23(22)31(26,29)30/h2-4,6,8-14,16H,1,5,7,15,25H2,(H,27,28)(H2,26,29,30).
What are the key properties of N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide?
N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide has a molecular weight of 435.55 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 142030083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).