2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride

C17H28ClN3O5S — CID 119677515

IUPAC2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-4-7-17(2,18)16(21)19-13-5-6-14(24-3)15(12-13)26(22,23)20-8-10-25-11-9-20;/h5-6,12H,4,7-11,18H2,1-3H3,(H,19,21);1H
InChIKeyBQLQETWFURQEGI-UHFFFAOYSA-N
MW421.95 g/mol
LogP1.59
Rot. Bonds7

About 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride

2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride (PubChem CID 119677515) has the molecular formula C17H28ClN3O5S and a molecular weight of 421.95 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
PubChem CID119677515
Molecular FormulaC17H28ClN3O5S
Molecular Weight421.95 g/mol
Exact Mass421.14
IUPAC Name2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-4-7-17(2,18)16(21)19-13-5-6-14(24-3)15(12-13)26(22,23)20-8-10-25-11-9-20;/h5-6,12H,4,7-11,18H2,1-3H3,(H,19,21);1H
InChIKeyBQLQETWFURQEGI-UHFFFAOYSA-N
XLogP1.59
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119677476
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119687733
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119264839
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55817715
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
3-cyclohexyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43008044

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride (CID 119677515) is 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.Cl.
What is the InChIKey of 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride?
The InChIKey is BQLQETWFURQEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S.ClH/c1-4-7-17(2,18)16(21)19-13-5-6-14(24-3)15(12-13)26(22,23)20-8-10-25-11-9-20;/h5-6,12H,4,7-11,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride?
2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119677515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).