2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide

C17H20N4O5S — CID 71449633

IUPAC2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N4O5S/c1-25-14-8-5-12(9-15(14)26-2)21-16(22)10-20-27(23,24)13-6-3-11(4-7-13)17(18)19/h3-9,20H,10H2,1-2H3,(H3,18,19)(H,21,22)
InChIKeyGAZYIRHLDBYLCW-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.90
Rot. Bonds8

About 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide

2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 71449633) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID71449633
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N4O5S/c1-25-14-8-5-12(9-15(14)26-2)21-16(22)10-20-27(23,24)13-6-3-11(4-7-13)17(18)19/h3-9,20H,10H2,1-2H3,(H3,18,19)(H,21,22)
InChIKeyGAZYIRHLDBYLCW-UHFFFAOYSA-N
XLogP0.90
TPSA143.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 112999332
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
CID 6452760
N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999333
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602588
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
N-(4-acetamidophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112999771
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
N-(3-acetamido-4-methoxyphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24666813
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
N-(3,4-dimethoxyphenyl)-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetamide
CID 112999325
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide (CID 71449633) is 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide is [H]/N=C(\N)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is GAZYIRHLDBYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-25-14-8-5-12(9-15(14)26-2)21-16(22)10-20-27(23,24)13-6-3-11(4-7-13)17(18)19/h3-9,20H,10H2,1-2H3,(H3,18,19)(H,21,22).
What are the key properties of 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 0.90, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 71449633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).