N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide

C13H20N2O4S — CID 66242650

IUPACN-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-8(2)13(16)15-9(3)10-5-6-11(19-4)12(7-10)20(14,17)18/h5-9H,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyGQXGADGQMAUJAB-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.18
Rot. Bonds5

About N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide

N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide (PubChem CID 66242650) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide
PubChem CID66242650
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-8(2)13(16)15-9(3)10-5-6-11(19-4)12(7-10)20(14,17)18/h5-9H,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyGQXGADGQMAUJAB-UHFFFAOYSA-N
XLogP1.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methoxypropanamide
CID 112685677
(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 94024950
5-[1-(butanoylamino)ethyl]-2-methoxybenzenesulfonyl chloride
CID 66241609
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132673940
ethyl N-acetyl-N-[(1S)-1-(4-methoxy-3-sulfamoylphenyl)ethyl]carbamate
CID 142657183

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide (CID 66242650) is N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide is COc1ccc(C(C)NC(=O)C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide?
The InChIKey is GQXGADGQMAUJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-8(2)13(16)15-9(3)10-5-6-11(19-4)12(7-10)20(14,17)18/h5-9H,1-4H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide?
N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 66242650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).