N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C21H24N2O5S — CID 26908240

IUPACN-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1
InChIInChI=1S/C21H24N2O5S/c1-14-3-6-20(15(2)11-14)29(25,26)23-9-7-16(8-10-23)21(24)22-17-4-5-18-19(12-17)28-13-27-18/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,22,24)
InChIKeyITGJFFJPSJUCAV-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.07
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26908240) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26908240
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1
InChIInChI=1S/C21H24N2O5S/c1-14-3-6-20(15(2)11-14)29(25,26)23-9-7-16(8-10-23)21(24)22-17-4-5-18-19(12-17)28-13-27-18/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,22,24)
InChIKeyITGJFFJPSJUCAV-UHFFFAOYSA-N
XLogP3.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-((3,4-dimethoxyphenyl)amino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 17584893
1-(2,4-dimethylbenzenesulfonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17391208
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 26289048
1-Phenylmethanesulfonyl-piperidine-3-carboxylic acid benzo[1,3]dioxol-5-ylamide
CID 647752
N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide
CID 649505
N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 652815
1-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-piperidine-4-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 656345
N-(1,3-benzodioxol-5-yl)-2-{3,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}acetamide
CID 986751
2-[Benzenesulfonyl-(3-methoxy-phenyl)-amino]-N-benzo[1,3]dioxol-5-yl-acetamide
CID 1000949
N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1077681
N~1~-1,3-benzodioxol-5-yl-N~2~-benzyl-N~2~-(methylsulfonyl)glycinamide
CID 1082608
N-Benzo[1,3]dioxol-5-yl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-acetamide
CID 1082964

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26908240) is N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ITGJFFJPSJUCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-14-3-6-20(15(2)11-14)29(25,26)23-9-7-16(8-10-23)21(24)22-17-4-5-18-19(12-17)28-13-27-18/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26908240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).