2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide

C13H20N4O3S — CID 82899994

IUPAC2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC(=O)NC2CC2)c1
InChIInChI=1S/C13H20N4O3S/c1-2-16-21(19,20)10-5-6-11(14)12(7-10)15-8-13(18)17-9-3-4-9/h5-7,9,15-16H,2-4,8,14H2,1H3,(H,17,18)
InChIKeyWCBFJZIWRICHSV-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.26
Rot. Bonds7

About 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide

2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide (PubChem CID 82899994) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
PubChem CID82899994
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC(=O)NC2CC2)c1
InChIInChI=1S/C13H20N4O3S/c1-2-16-21(19,20)10-5-6-11(14)12(7-10)15-8-13(18)17-9-3-4-9/h5-7,9,15-16H,2-4,8,14H2,1H3,(H,17,18)
InChIKeyWCBFJZIWRICHSV-UHFFFAOYSA-N
XLogP0.26
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-sulfamoylanilino)-N-cyclopropylacetamide
CID 82907918
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
CID 43568435
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide
CID 82898670
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide
CID 114281228
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571054
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide (CID 82899994) is 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide is CCNS(=O)(=O)c1ccc(N)c(NCC(=O)NC2CC2)c1.
What is the InChIKey of 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide?
The InChIKey is WCBFJZIWRICHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-2-16-21(19,20)10-5-6-11(14)12(7-10)15-8-13(18)17-9-3-4-9/h5-7,9,15-16H,2-4,8,14H2,1H3,(H,17,18).
What are the key properties of 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide?
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide has a molecular weight of 312.40 g/mol, XLogP of 0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide is sourced from PubChem (CID 82899994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).