4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

C17H28ClN3O4S — CID 119461144

IUPAC4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CCCNC2)cc1S(=O)(=O)NC(C)C.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-12(2)20-25(22,23)16-9-14(6-7-15(16)24-3)17(21)19-11-13-5-4-8-18-10-13;/h6-7,9,12-13,18,20H,4-5,8,10-11H2,1-3H3,(H,19,21);1H
InChIKeyCQYMRULXZURBNI-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.53
Rot. Bonds7

About 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 119461144) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
PubChem CID119461144
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC Name4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CCCNC2)cc1S(=O)(=O)NC(C)C.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-12(2)20-25(22,23)16-9-14(6-7-15(16)24-3)17(21)19-11-13-5-4-8-18-10-13;/h6-7,9,12-13,18,20H,4-5,8,10-11H2,1-3H3,(H,19,21);1H
InChIKeyCQYMRULXZURBNI-UHFFFAOYSA-N
XLogP1.53
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 119462339
3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463531
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119464467
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461880
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119543842
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (CID 119461144) is 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is COc1ccc(C(=O)NCC2CCCNC2)cc1S(=O)(=O)NC(C)C.Cl.
What is the InChIKey of 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is CQYMRULXZURBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-12(2)20-25(22,23)16-9-14(6-7-15(16)24-3)17(21)19-11-13-5-4-8-18-10-13;/h6-7,9,12-13,18,20H,4-5,8,10-11H2,1-3H3,(H,19,21);1H.
What are the key properties of 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119461144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).