3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

C19H32ClN3O3S — CID 119433268

IUPAC3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-14-6-10-22(11-7-14)26(24,25)18-13-17(12-15(2)16(18)3)19(23)21-9-5-8-20-4;/h12-14,20H,5-11H2,1-4H3,(H,21,23);1H
InChIKeyYWZJUURRXTWXFD-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.49
Rot. Bonds7

About 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119433268) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119433268
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC Name3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-14-6-10-22(11-7-14)26(24,25)18-13-17(12-15(2)16(18)3)19(23)21-9-5-8-20-4;/h12-14,20H,5-11H2,1-4H3,(H,21,23);1H
InChIKeyYWZJUURRXTWXFD-UHFFFAOYSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 78816617
N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55407911
3-[[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-2-methylpropanoic acid
CID 119236545
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428202
N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 51218909
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26454802
[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 17466177
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 27700270
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 28538953
(2-amino-2-oxoethyl) 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 27577234

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (CID 119433268) is 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is CNCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1.Cl.
What is the InChIKey of 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is YWZJUURRXTWXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-14-6-10-22(11-7-14)26(24,25)18-13-17(12-15(2)16(18)3)19(23)21-9-5-8-20-4;/h12-14,20H,5-11H2,1-4H3,(H,21,23);1H.
What are the key properties of 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119433268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).