N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C12H20ClN3O4S — CID 119697481

IUPACN-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-8(7-14-2)12(16)15-10-6-9(20(13,17)18)4-5-11(10)19-3;/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18);1H
InChIKeyWWQZGNANJUBRIV-UHFFFAOYSA-N
MW337.83 g/mol
LogP0.56
Rot. Bonds6

About N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119697481) has the molecular formula C12H20ClN3O4S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119697481
Molecular FormulaC12H20ClN3O4S
Molecular Weight337.83 g/mol
Exact Mass337.09
IUPAC NameN-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-8(7-14-2)12(16)15-10-6-9(20(13,17)18)4-5-11(10)19-3;/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18);1H
InChIKeyWWQZGNANJUBRIV-UHFFFAOYSA-N
XLogP0.56
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea
CID 79162786
3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 62727205
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide
CID 60549995
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
(2R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpentanamide
CID 8838802
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 79473829

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119697481) is N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC.Cl.
What is the InChIKey of N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is WWQZGNANJUBRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S.ClH/c1-8(7-14-2)12(16)15-10-6-9(20(13,17)18)4-5-11(10)19-3;/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18);1H.
What are the key properties of N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119697481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).