(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C26H30N2O3S — CID 40976126

IUPAC(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C26H30N2O3S/c1-18(2)24-12-6-8-19(3)25(24)27-26(29)22-11-7-15-28(17-22)32(30,31)23-14-13-20-9-4-5-10-21(20)16-23/h4-6,8-10,12-14,16,18,22H,7,11,15,17H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyKVFYGPBWIHDLMH-JOCHJYFZSA-N
MW450.60 g/mol
LogP5.31
Rot. Bonds5

About (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 40976126) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID40976126
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C26H30N2O3S/c1-18(2)24-12-6-8-19(3)25(24)27-26(29)22-11-7-15-28(17-22)32(30,31)23-14-13-20-9-4-5-10-21(20)16-23/h4-6,8-10,12-14,16,18,22H,7,11,15,17H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyKVFYGPBWIHDLMH-JOCHJYFZSA-N
XLogP5.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26218792
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
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 1456902
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 3325498
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
(3S)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591181
(3R)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591179
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642030
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 40976126) is (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is KVFYGPBWIHDLMH-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-18(2)24-12-6-8-19(3)25(24)27-26(29)22-11-7-15-28(17-22)32(30,31)23-14-13-20-9-4-5-10-21(20)16-23/h4-6,8-10,12-14,16,18,22H,7,11,15,17H2,1-3H3,(H,27,29)/t22-/m1/s1.
What are the key properties of (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 450.60 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 40976126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).