2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide

C12H17N3O4S — CID 81437936

IUPAC2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESCOc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1N
InChIInChI=1S/C12H17N3O4S/c1-19-11-6-9(4-5-10(11)13)20(17,18)14-7-12(16)15-8-2-3-8/h4-6,8,14H,2-3,7,13H2,1H3,(H,15,16)
InChIKeyQJXQIOPBRUNQNG-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.17
Rot. Bonds6

About 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide

2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 81437936) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID81437936
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESCOc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1N
InChIInChI=1S/C12H17N3O4S/c1-19-11-6-9(4-5-10(11)13)20(17,18)14-7-12(16)15-8-2-3-8/h4-6,8,14H,2-3,7,13H2,1H3,(H,15,16)
InChIKeyQJXQIOPBRUNQNG-UHFFFAOYSA-N
XLogP-0.17
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
CID 82899994
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 43310349
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxybenzenesulfonamide
CID 115454056
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide (CID 81437936) is 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide is COc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1N.
What is the InChIKey of 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is QJXQIOPBRUNQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-19-11-6-9(4-5-10(11)13)20(17,18)14-7-12(16)15-8-2-3-8/h4-6,8,14H,2-3,7,13H2,1H3,(H,15,16).
What are the key properties of 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide?
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 299.35 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 81437936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).