2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide

C21H20N4O4S — CID 10295922

IUPAC2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide
SMILES[H]/N=C(\N)c1ccc(OCC(=O)Nc2cccc(-c3ccccc3S(N)(=O)=O)c2)cc1
InChIInChI=1S/C21H20N4O4S/c22-21(23)14-8-10-17(11-9-14)29-13-20(26)25-16-5-3-4-15(12-16)18-6-1-2-7-19(18)30(24,27)28/h1-12H,13H2,(H3,22,23)(H,25,26)(H2,24,27,28)
InChIKeyZXAZUQCZKBCHFS-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.30
Rot. Bonds7

About 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide

2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide (PubChem CID 10295922) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide
PubChem CID10295922
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide
SMILES[H]/N=C(\N)c1ccc(OCC(=O)Nc2cccc(-c3ccccc3S(N)(=O)=O)c2)cc1
InChIInChI=1S/C21H20N4O4S/c22-21(23)14-8-10-17(11-9-14)29-13-20(26)25-16-5-3-4-15(12-16)18-6-1-2-7-19(18)30(24,27)28/h1-12H,13H2,(H3,22,23)(H,25,26)(H2,24,27,28)
InChIKeyZXAZUQCZKBCHFS-UHFFFAOYSA-N
XLogP2.30
TPSA148.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.30
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

(3S)-3-(3-carbamimidoylanilino)-4-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide
CID 151802452
methyl 2-[3-carbamimidoyl-N-[2-[4-(2-sulfamoylphenyl)phenoxy]ethyl]anilino]acetate
CID 11754992
N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
CID 87951181
2-(3-carbamimidoylanilino)-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 10278610
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
2-(3-carbamimidoylphenoxy)-5-chloro-N-[4-(2-sulfamoylphenyl)phenyl]benzamide
CID 22596395
methyl 5-[[2-(4-carbamimidoylphenoxy)acetyl]amino]-2-(2-methoxy-2-oxoethoxy)benzoate
CID 139659426
3-(3-carbamimidoylphenyl)-4,4,4-trifluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 54421193
2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 10114682
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
CID 9137794
3-[(2-methoxyethylamino)-[[4-(2-sulfamoylphenyl)benzoyl]amino]amino]benzenecarboximidamide
CID 175240904

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide?
The IUPAC name of 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide (CID 10295922) is 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide?
The canonical SMILES for 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide is [H]/N=C(\N)c1ccc(OCC(=O)Nc2cccc(-c3ccccc3S(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide?
The InChIKey is ZXAZUQCZKBCHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c22-21(23)14-8-10-17(11-9-14)29-13-20(26)25-16-5-3-4-15(12-16)18-6-1-2-7-19(18)30(24,27)28/h1-12H,13H2,(H3,22,23)(H,25,26)(H2,24,27,28).
What are the key properties of 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide?
2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamimidoylphenoxy)-N-[3-(2-sulfamoylphenyl)phenyl]acetamide is sourced from PubChem (CID 10295922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).