2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide

C13H21N3O4S — CID 79961871

IUPAC2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C13H21N3O4S/c1-5-15-13(17)9(3)16-21(18,19)12-7-10(14)8(2)6-11(12)20-4/h6-7,9,16H,5,14H2,1-4H3,(H,15,17)
InChIKeyJYLVOYFQKCMBSJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.39
Rot. Bonds6

About 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide

2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 79961871) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID79961871
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C13H21N3O4S/c1-5-15-13(17)9(3)16-21(18,19)12-7-10(14)8(2)6-11(12)20-4/h6-7,9,16H,5,14H2,1-4H3,(H,15,17)
InChIKeyJYLVOYFQKCMBSJ-UHFFFAOYSA-N
XLogP0.39
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.39
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

2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 81396931
(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9190128
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 80708583
5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974308
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 124549238
(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 94812873
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide (CID 79961871) is 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)c1cc(N)c(C)cc1OC.
What is the InChIKey of 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is JYLVOYFQKCMBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-5-15-13(17)9(3)16-21(18,19)12-7-10(14)8(2)6-11(12)20-4/h6-7,9,16H,5,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide?
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 315.40 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 79961871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).