3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide

C20H25N3O3S — CID 27700270

IUPAC3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
SMILESCc1cc(C(=O)Nc2ccncc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C20H25N3O3S/c1-14-6-10-23(11-7-14)27(25,26)19-13-17(12-15(2)16(19)3)20(24)22-18-4-8-21-9-5-18/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,21,22,24)
InChIKeyJYCYEDSMEMDCNJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.37
Rot. Bonds4

About 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide

3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide (PubChem CID 27700270) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
PubChem CID27700270
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
SMILESCc1cc(C(=O)Nc2ccncc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C20H25N3O3S/c1-14-6-10-23(11-7-14)27(25,26)19-13-17(12-15(2)16(19)3)20(24)22-18-4-8-21-9-5-18/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,21,22,24)
InChIKeyJYCYEDSMEMDCNJ-UHFFFAOYSA-N
XLogP3.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 28538953
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 30860403
N-(2-hydroxyethyl)-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 78816617
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624621
N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1333013
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885
N-[1-(3-acetamidophenyl)ethyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46598587
[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 17466177
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4089870
N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 51218909
3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119433268
3-[[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-2-methylpropanoic acid
CID 119236545

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide (CID 27700270) is 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide is Cc1cc(C(=O)Nc2ccncc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide?
The InChIKey is JYCYEDSMEMDCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-6-10-23(11-7-14)27(25,26)19-13-17(12-15(2)16(19)3)20(24)22-18-4-8-21-9-5-18/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,21,22,24).
What are the key properties of 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide?
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 27700270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).