N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide

C21H24N2O5S — CID 7234238

IUPACN-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H24N2O5S/c1-2-17-5-3-4-12-23(17)29(25,26)18-9-7-16(8-10-18)22-21(24)15-6-11-19-20(13-15)28-14-27-19/h6-11,13,17H,2-5,12,14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyPDYMIVFPTWKEBO-QGZVFWFLSA-N
MW416.50 g/mol
LogP3.62
Rot. Bonds5

About N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide

N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7234238) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7234238
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H24N2O5S/c1-2-17-5-3-4-12-23(17)29(25,26)18-9-7-16(8-10-18)22-21(24)15-6-11-19-20(13-15)28-14-27-19/h6-11,13,17H,2-5,12,14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyPDYMIVFPTWKEBO-QGZVFWFLSA-N
XLogP3.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112985450
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634
N-(1,3-benzodioxol-5-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8701103
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 171378526
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4664347
N-(4-ethylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 110793125
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 6467830
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide (CID 7234238) is N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide is CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PDYMIVFPTWKEBO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-2-17-5-3-4-12-23(17)29(25,26)18-9-7-16(8-10-18)22-21(24)15-6-11-19-20(13-15)28-14-27-19/h6-11,13,17H,2-5,12,14H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7234238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).