4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide

C22H29N3O3S — CID 108562803

IUPAC4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)cc1C
InChIInChI=1S/C22H29N3O3S/c1-16-5-10-21(15-17(16)2)29(27,28)25-13-11-19(12-14-25)23-22(26)18-6-8-20(9-7-18)24(3)4/h5-10,15,19H,11-14H2,1-4H3,(H,23,26)
InChIKeyRALROWCTUABPEC-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.95
Rot. Bonds5

About 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide

4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 108562803) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID108562803
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)cc1C
InChIInChI=1S/C22H29N3O3S/c1-16-5-10-21(15-17(16)2)29(27,28)25-13-11-19(12-14-25)23-22(26)18-6-8-20(9-7-18)24(3)4/h5-10,15,19H,11-14H2,1-4H3,(H,23,26)
InChIKeyRALROWCTUABPEC-UHFFFAOYSA-N
XLogP2.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
N-cyclopropyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55636271
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine
CID 60819969
N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide
CID 46462964
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 108562803) is 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)cc1C.
What is the InChIKey of 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is RALROWCTUABPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-16-5-10-21(15-17(16)2)29(27,28)25-13-11-19(12-14-25)23-22(26)18-6-8-20(9-7-18)24(3)4/h5-10,15,19H,11-14H2,1-4H3,(H,23,26).
What are the key properties of 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 415.56 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 108562803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).