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

C13H21N3O4S — CID 81440558

IUPAC2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H21N3O4S/c1-4-7-15-13(17)9(2)16-21(18,19)10-5-6-11(14)12(8-10)20-3/h5-6,8-9,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyACWWUMCVEQOMIF-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.47
Rot. Bonds7

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

2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 81440558) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
PubChem CID81440558
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H21N3O4S/c1-4-7-15-13(17)9(2)16-21(18,19)10-5-6-11(14)12(8-10)20-3/h5-6,8-9,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyACWWUMCVEQOMIF-UHFFFAOYSA-N
XLogP0.47
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.47
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

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 7354928
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 8802619
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 81437934
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate
CID 8800833
(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800730
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 8800873
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide (CID 81440558) is 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is ACWWUMCVEQOMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-4-7-15-13(17)9(2)16-21(18,19)10-5-6-11(14)12(8-10)20-3/h5-6,8-9,16H,4,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 315.40 g/mol, XLogP of 0.47, 7 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-propylpropanamide is sourced from PubChem (CID 81440558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).