(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C24H24N2O5S — CID 27151827

IUPAC(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C24H24N2O5S/c27-24(25-20-8-10-22-23(15-20)31-13-12-30-22)19-6-3-11-26(16-19)32(28,29)21-9-7-17-4-1-2-5-18(17)14-21/h1-2,4-5,7-10,14-15,19H,3,6,11-13,16H2,(H,25,27)/t19-/m0/s1
InChIKeyRKLWYKUICABMAC-IBGZPJMESA-N
MW452.53 g/mol
LogP3.65
Rot. Bonds4

About (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 27151827) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID27151827
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C24H24N2O5S/c27-24(25-20-8-10-22-23(15-20)31-13-12-30-22)19-6-3-11-26(16-19)32(28,29)21-9-7-17-4-1-2-5-18(17)14-21/h1-2,4-5,7-10,14-15,19H,3,6,11-13,16H2,(H,25,27)/t19-/m0/s1
InChIKeyRKLWYKUICABMAC-IBGZPJMESA-N
XLogP3.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26532315
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3937538
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 43872886
(3R)-1-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 1444987
(3S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078447
N-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide
CID 2981655
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 94861578
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 133159790
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 27151827) is (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is RKLWYKUICABMAC-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N2O5S/c27-24(25-20-8-10-22-23(15-20)31-13-12-30-22)19-6-3-11-26(16-19)32(28,29)21-9-7-17-4-1-2-5-18(17)14-21/h1-2,4-5,7-10,14-15,19H,3,6,11-13,16H2,(H,25,27)/t19-/m0/s1.
What are the key properties of (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 27151827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).