1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide

C25H27N5O3S — CID 10205895

IUPAC1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide
SMILES[H]/N=C(\N)c1cccc(N2CCCCC2C(=O)Nc2ccc(-c3ccccc3)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C25H27N5O3S/c26-24(27)18-9-6-10-20(15-18)30-14-5-4-11-22(30)25(31)29-19-12-13-21(17-7-2-1-3-8-17)23(16-19)34(28,32)33/h1-3,6-10,12-13,15-16,22H,4-5,11,14H2,(H3,26,27)(H,29,31)(H2,28,32,33)
InChIKeyQGEYSXZFGKIMRI-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.28
Rot. Bonds6

About 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide

1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide (PubChem CID 10205895) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide
PubChem CID10205895
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide
SMILES[H]/N=C(\N)c1cccc(N2CCCCC2C(=O)Nc2ccc(-c3ccccc3)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C25H27N5O3S/c26-24(27)18-9-6-10-20(15-18)30-14-5-4-11-22(30)25(31)29-19-12-13-21(17-7-2-1-3-8-17)23(16-19)34(28,32)33/h1-3,6-10,12-13,15-16,22H,4-5,11,14H2,(H3,26,27)(H,29,31)(H2,28,32,33)
InChIKeyQGEYSXZFGKIMRI-UHFFFAOYSA-N
XLogP3.28
TPSA142.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(3-carbamimidoylphenyl)piperidine-2-carboxylic acid
CID 86675973
1-(3-carbamimidoylphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]piperidine-2-carboxamide
CID 10114218
3-(2-formylpiperidin-1-yl)benzenecarboximidamide
CID 142030266
2-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10389524
cis-(1S,2R)-2-(3-carbamimidoylphenyl)-N-[4-(5-methyl-2-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
CID 10187916
2-(3-carbamimidoylanilino)-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 10278610
2-[2-[(4-carbamimidoylphenyl)carbamoyl]azepan-1-yl]-5-[(1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl]benzoic acid
CID 21302434
2-[1-(5-carbamimidoyl-2-hydroxyphenyl)piperazin-2-yl]-2-cyclohexyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 135960694
3-(3-carbamimidoylphenyl)-4,4,4-trifluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 54421193
4-(3-carbamimidoylanilino)sulfanyl-N-[4-(2-sulfamoylphenyl)phenyl]oxane-4-carboxamide
CID 157107198
(4S,5S)-3-(3-carbamimidoylphenyl)-5-(methoxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-4-carboxamide
CID 10029239
(3S)-3-(3-carbamimidoylanilino)-4-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide
CID 151802452

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide (CID 10205895) is 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide is [H]/N=C(\N)c1cccc(N2CCCCC2C(=O)Nc2ccc(-c3ccccc3)c(S(N)(=O)=O)c2)c1.
What is the InChIKey of 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide?
The InChIKey is QGEYSXZFGKIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c26-24(27)18-9-6-10-20(15-18)30-14-5-4-11-22(30)25(31)29-19-12-13-21(17-7-2-1-3-8-17)23(16-19)34(28,32)33/h1-3,6-10,12-13,15-16,22H,4-5,11,14H2,(H3,26,27)(H,29,31)(H2,28,32,33).
What are the key properties of 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide?
1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 10205895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).