(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C24H26N2O3S — CID 40976117

IUPAC(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C24H26N2O3S/c1-17-7-5-8-18(2)23(17)25-24(27)21-11-6-14-26(16-21)30(28,29)22-13-12-19-9-3-4-10-20(19)15-22/h3-5,7-10,12-13,15,21H,6,11,14,16H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyBNNCHFAVUFBTDS-NRFANRHFSA-N
MW422.55 g/mol
LogP4.50
Rot. Bonds4

About (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 40976117) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID40976117
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C24H26N2O3S/c1-17-7-5-8-18(2)23(17)25-24(27)21-11-6-14-26(16-21)30(28,29)22-13-12-19-9-3-4-10-20(19)15-22/h3-5,7-10,12-13,15,21H,6,11,14,16H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyBNNCHFAVUFBTDS-NRFANRHFSA-N
XLogP4.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976126
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 1456902
N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 4530655
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 133159808
N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26218792
1-naphthalen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 5124057
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 94861578
(3S)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591181

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 40976117) is (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is Cc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is BNNCHFAVUFBTDS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-7-5-8-18(2)23(17)25-24(27)21-11-6-14-26(16-21)30(28,29)22-13-12-19-9-3-4-10-20(19)15-22/h3-5,7-10,12-13,15,21H,6,11,14,16H2,1-2H3,(H,25,27)/t21-/m0/s1.
What are the key properties of (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 40976117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).