2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide

C13H21N3O3S — CID 43567663

IUPAC2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC(=O)NC(C)C
InChIInChI=1S/C13H21N3O3S/c1-4-10-5-6-11(14)7-12(10)20(18,19)15-8-13(17)16-9(2)3/h5-7,9,15H,4,8,14H2,1-3H3,(H,16,17)
InChIKeyQLGBFHBWLSMRRY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.63
Rot. Bonds6

About 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 43567663) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID43567663
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC(=O)NC(C)C
InChIInChI=1S/C13H21N3O3S/c1-4-10-5-6-11(14)7-12(10)20(18,19)15-8-13(17)16-9(2)3/h5-7,9,15H,4,8,14H2,1-3H3,(H,16,17)
InChIKeyQLGBFHBWLSMRRY-UHFFFAOYSA-N
XLogP0.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 106140110
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
2-[(2-amino-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 62146480
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 43567663) is 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide is CCc1ccc(N)cc1S(=O)(=O)NCC(=O)NC(C)C.
What is the InChIKey of 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is QLGBFHBWLSMRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-10-5-6-11(14)7-12(10)20(18,19)15-8-13(17)16-9(2)3/h5-7,9,15H,4,8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 299.40 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43567663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).