2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide

C24H26N4O4S — CID 10162056

IUPAC2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide
SMILES[H]/N=C(\N)c1cccc(OC(CCC)C(=O)Nc2cccc(-c3cccc(S(N)(=O)=O)c3)c2)c1
InChIInChI=1S/C24H26N4O4S/c1-2-6-22(32-20-11-4-9-18(14-20)23(25)26)24(29)28-19-10-3-7-16(13-19)17-8-5-12-21(15-17)33(27,30)31/h3-5,7-15,22H,2,6H2,1H3,(H3,25,26)(H,28,29)(H2,27,30,31)
InChIKeyBXCQDLKQIHBEFN-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.47
Rot. Bonds9

About 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide

2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide (PubChem CID 10162056) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide
PubChem CID10162056
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide
SMILES[H]/N=C(\N)c1cccc(OC(CCC)C(=O)Nc2cccc(-c3cccc(S(N)(=O)=O)c3)c2)c1
InChIInChI=1S/C24H26N4O4S/c1-2-6-22(32-20-11-4-9-18(14-20)23(25)26)24(29)28-19-10-3-7-16(13-19)17-8-5-12-21(15-17)33(27,30)31/h3-5,7-15,22H,2,6H2,1H3,(H3,25,26)(H,28,29)(H2,27,30,31)
InChIKeyBXCQDLKQIHBEFN-UHFFFAOYSA-N
XLogP3.47
TPSA148.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.47
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'}

Analyze 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide 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

2-(3-carbamimidoylphenoxy)-N-[4-(2-sulfamoylphenyl)phenyl]heptanamide
CID 10228454
2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide
CID 10200785
2-(3-carbamimidoylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide
CID 10223170
2-(3-carbamimidoylphenoxy)-N-[3-methyl-4-(2-oxoazepan-1-yl)phenyl]pentanamide
CID 69338531
3-butan-2-yloxybenzenecarboximidamide
CID 42656931
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
(2S)-2-(3-carbamimidoylanilino)-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide
CID 70081882
methyl 2-[3-(3-carbamimidoylphenyl)-5-[[4-(3-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate
CID 10604270
2-(3-methylsulfonylphenoxy)pentanehydrazide
CID 83048030
(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 107565988
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
2-methylpropyl-[3-[1-[4-(2-methylsulfonylphenyl)anilino]-1-oxopentan-2-yl]oxybenzenecarboximidoyl]carbamic acid
CID 22323135

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide?
The IUPAC name of 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide (CID 10162056) is 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide.
What is the SMILES notation for 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide?
The canonical SMILES for 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide is [H]/N=C(\N)c1cccc(OC(CCC)C(=O)Nc2cccc(-c3cccc(S(N)(=O)=O)c3)c2)c1.
What is the InChIKey of 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide?
The InChIKey is BXCQDLKQIHBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-2-6-22(32-20-11-4-9-18(14-20)23(25)26)24(29)28-19-10-3-7-16(13-19)17-8-5-12-21(15-17)33(27,30)31/h3-5,7-15,22H,2,6H2,1H3,(H3,25,26)(H,28,29)(H2,27,30,31).
What are the key properties of 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide?
2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide has a molecular weight of 466.56 g/mol, XLogP of 3.47, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoylphenoxy)-N-[3-(3-sulfamoylphenyl)phenyl]pentanamide is sourced from PubChem (CID 10162056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).