3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C17H28ClN3O5S — CID 119556011

IUPAC3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCC2CCCNC2)cc(NS(C)(=O)=O)c1OC.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-24-15-10-13(9-14(16(15)25-2)20-26(3,22)23)17(21)19-8-6-12-5-4-7-18-11-12;/h9-10,12,18,20H,4-8,11H2,1-3H3,(H,19,21);1H
InChIKeyOMMLJZNHLMCMSV-UHFFFAOYSA-N
MW421.95 g/mol
LogP1.62
Rot. Bonds8

About 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119556011) has the molecular formula C17H28ClN3O5S and a molecular weight of 421.95 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119556011
Molecular FormulaC17H28ClN3O5S
Molecular Weight421.95 g/mol
Exact Mass421.14
IUPAC Name3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCC2CCCNC2)cc(NS(C)(=O)=O)c1OC.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-24-15-10-13(9-14(16(15)25-2)20-26(3,22)23)17(21)19-8-6-12-5-4-7-18-11-12;/h9-10,12,18,20H,4-8,11H2,1-3H3,(H,19,21);1H
InChIKeyOMMLJZNHLMCMSV-UHFFFAOYSA-N
XLogP1.62
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119558452
3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551020
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 119470818
3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461880
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536726
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119556011) is 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is COc1cc(C(=O)NCCC2CCCNC2)cc(NS(C)(=O)=O)c1OC.Cl.
What is the InChIKey of 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is OMMLJZNHLMCMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S.ClH/c1-24-15-10-13(9-14(16(15)25-2)20-26(3,22)23)17(21)19-8-6-12-5-4-7-18-11-12;/h9-10,12,18,20H,4-8,11H2,1-3H3,(H,19,21);1H.
What are the key properties of 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119556011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).