N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide

C23H30N2O3S — CID 60537681

IUPACN-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
SMILESCc1ccc(N(C)C(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-16-9-10-22(19(4)12-16)24(5)23(26)20-7-6-8-21(13-20)29(27,28)25-14-17(2)11-18(3)15-25/h6-10,12-13,17-18H,11,14-15H2,1-5H3
InChIKeyLKYVZSPTNCJBCF-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.25
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide

N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide (PubChem CID 60537681) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
PubChem CID60537681
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
SMILESCc1ccc(N(C)C(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-16-9-10-22(19(4)12-16)24(5)23(26)20-7-6-8-21(13-20)29(27,28)25-14-17(2)11-18(3)15-25/h6-10,12-13,17-18H,11,14-15H2,1-5H3
InChIKeyLKYVZSPTNCJBCF-UHFFFAOYSA-N
XLogP4.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
(3-methylphenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 16548581
N-[3-(dimethylamino)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 78781185
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(3-methylanilino)ethanone
CID 110824862
N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2347527
N-[(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
CID 134046605
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methylbenzamide
CID 98621805
N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 60575082
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
(4-chlorophenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 16548573
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)propyl]benzamide
CID 120829858
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2425187

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide (CID 60537681) is N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide is Cc1ccc(N(C)C(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide?
The InChIKey is LKYVZSPTNCJBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-16-9-10-22(19(4)12-16)24(5)23(26)20-7-6-8-21(13-20)29(27,28)25-14-17(2)11-18(3)15-25/h6-10,12-13,17-18H,11,14-15H2,1-5H3.
What are the key properties of N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide?
N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide has a molecular weight of 414.57 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 60537681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).