1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide

C24H32N2O5S — CID 3325498

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3c(C)cccc3C(C)C)C2)c1
InChIInChI=1S/C24H32N2O5S/c1-16(2)20-10-6-8-17(3)23(20)25-24(27)18-9-7-13-26(15-18)32(28,29)22-14-19(30-4)11-12-21(22)31-5/h6,8,10-12,14,16,18H,7,9,13,15H2,1-5H3,(H,25,27)
InChIKeyFOYHJHYKVLXDQB-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.18
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 3325498) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID3325498
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3c(C)cccc3C(C)C)C2)c1
InChIInChI=1S/C24H32N2O5S/c1-16(2)20-10-6-8-17(3)23(20)25-24(27)18-9-7-13-26(15-18)32(28,29)22-14-19(30-4)11-12-21(22)31-5/h6,8,10-12,14,16,18H,7,9,13,15H2,1-5H3,(H,25,27)
InChIKeyFOYHJHYKVLXDQB-UHFFFAOYSA-N
XLogP4.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976126
(3R)-N-(2,6-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397204
(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 40595931
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 7453392
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 43872906
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872907
(3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126379679
1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 43906695
1-(benzenesulfonyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 55650398
(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302815
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642030
(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide (CID 3325498) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3c(C)cccc3C(C)C)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is FOYHJHYKVLXDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-16(2)20-10-6-8-17(3)23(20)25-24(27)18-9-7-13-26(15-18)32(28,29)22-14-19(30-4)11-12-21(22)31-5/h6,8,10-12,14,16,18H,7,9,13,15H2,1-5H3,(H,25,27).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3325498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).