2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride

C12H20ClN3O4S — CID 119282644

IUPAC2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
SMILESCOc1cc(NC(=O)C(C)(C)N)ccc1NS(C)(=O)=O.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-12(2,13)11(16)14-8-5-6-9(10(7-8)19-3)15-20(4,17)18;/h5-7,15H,13H2,1-4H3,(H,14,16);1H
InChIKeyLOBBMBOQGKEEFB-UHFFFAOYSA-N
MW337.83 g/mol
LogP1.16
Rot. Bonds5

About 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride

2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride (PubChem CID 119282644) has the molecular formula C12H20ClN3O4S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
PubChem CID119282644
Molecular FormulaC12H20ClN3O4S
Molecular Weight337.83 g/mol
Exact Mass337.09
IUPAC Name2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
SMILESCOc1cc(NC(=O)C(C)(C)N)ccc1NS(C)(=O)=O.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-12(2,13)11(16)14-8-5-6-9(10(7-8)19-3)15-20(4,17)18;/h5-7,15H,13H2,1-4H3,(H,14,16);1H
InChIKeyLOBBMBOQGKEEFB-UHFFFAOYSA-N
XLogP1.16
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 51132083
2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide
CID 119321312
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide
CID 120985632
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119331466
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
dimethyl (E)-2-[4-(methanesulfonamido)-3-methoxyanilino]but-2-enedioate
CID 168565971
N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
CID 79797274
2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide
CID 112826811
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride (CID 119282644) is 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride is COc1cc(NC(=O)C(C)(C)N)ccc1NS(C)(=O)=O.Cl.
What is the InChIKey of 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is LOBBMBOQGKEEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S.ClH/c1-12(2,13)11(16)14-8-5-6-9(10(7-8)19-3)15-20(4,17)18;/h5-7,15H,13H2,1-4H3,(H,14,16);1H.
What are the key properties of 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride?
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119282644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).