N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride

C17H29ClN2O4S — CID 119653460

IUPACN-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-13(16(20)19(4)12-17(2,3)11-18)10-24(21,22)15-8-6-14(23-5)7-9-15;/h6-9,13H,10-12,18H2,1-5H3;1H
InChIKeyBOLDUKXPJCNWJZ-UHFFFAOYSA-N
MW392.95 g/mol
LogP1.97
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride (PubChem CID 119653460) has the molecular formula C17H29ClN2O4S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride
PubChem CID119653460
Molecular FormulaC17H29ClN2O4S
Molecular Weight392.95 g/mol
Exact Mass392.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-13(16(20)19(4)12-17(2,3)11-18)10-24(21,22)15-8-6-14(23-5)7-9-15;/h6-9,13H,10-12,18H2,1-5H3;1H
InChIKeyBOLDUKXPJCNWJZ-UHFFFAOYSA-N
XLogP1.97
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119654882
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 119654327
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119655638
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119656929
tert-butyl (2S)-2-[(4-methoxyphenyl)sulfonylmethyl]butanoate
CID 148807965
(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid
CID 119370188
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119654069
N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119653733

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride (CID 119653460) is N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride is COc1ccc(S(=O)(=O)CC(C)C(=O)N(C)CC(C)(C)CN)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride?
The InChIKey is BOLDUKXPJCNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S.ClH/c1-13(16(20)19(4)12-17(2,3)11-18)10-24(21,22)15-8-6-14(23-5)7-9-15;/h6-9,13H,10-12,18H2,1-5H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119653460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).