N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C17H26N2O3S — CID 51218909

IUPACN,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(C(=O)N(C)C)cc(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C17H26N2O3S/c1-12-6-8-19(9-7-12)23(21,22)16-11-15(17(20)18(4)5)10-13(2)14(16)3/h10-12H,6-9H2,1-5H3
InChIKeyXOYAXSHMDDSXKT-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.43
Rot. Bonds3

About N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 51218909) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID51218909
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(C(=O)N(C)C)cc(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C17H26N2O3S/c1-12-6-8-19(9-7-12)23(21,22)16-11-15(17(20)18(4)5)10-13(2)14(16)3/h10-12H,6-9H2,1-5H3
InChIKeyXOYAXSHMDDSXKT-UHFFFAOYSA-N
XLogP2.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 17466177
azocan-1-yl-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55382126
N-(2-hydroxyethyl)-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 78816617
(2-amino-2-oxoethyl) 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 27577234
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26454802
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46579110
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885
3-[[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-2-methylpropanoic acid
CID 119236545
3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119433268
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 27700270
N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55407911
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 30860403

Frequently Asked Questions

What is the IUPAC name of N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 51218909) is N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(C(=O)N(C)C)cc(S(=O)(=O)N2CCC(C)CC2)c1C.
What is the InChIKey of N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is XOYAXSHMDDSXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12-6-8-19(9-7-12)23(21,22)16-11-15(17(20)18(4)5)10-13(2)14(16)3/h10-12H,6-9H2,1-5H3.
What are the key properties of N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 338.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 51218909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).