1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide

C25H34N2O4S — CID 43906695

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NC(C)c2cc(C)c(C)cc2C)C1
InChIInChI=1S/C25H34N2O4S/c1-16-9-10-23(31-6)24(12-16)32(29,30)27-11-7-8-21(15-27)25(28)26-20(5)22-14-18(3)17(2)13-19(22)4/h9-10,12-14,20-21H,7-8,11,15H2,1-6H3,(H,26,28)
InChIKeyDHSNNOROFJXEAY-UHFFFAOYSA-N
MW458.62 g/mol
LogP4.21
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide

1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 43906695) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID43906695
Molecular FormulaC25H34N2O4S
Molecular Weight458.62 g/mol
Exact Mass458.22
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NC(C)c2cc(C)c(C)cc2C)C1
InChIInChI=1S/C25H34N2O4S/c1-16-9-10-23(31-6)24(12-16)32(29,30)27-11-7-8-21(15-27)25(28)26-20(5)22-14-18(3)17(2)13-19(22)4/h9-10,12-14,20-21H,7-8,11,15H2,1-6H3,(H,26,28)
InChIKeyDHSNNOROFJXEAY-UHFFFAOYSA-N
XLogP4.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.62
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30401699
(3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40647482
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404720
N-butan-2-yl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5108976
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125043950
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404565
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404582
(3R)-1-(2,5-dichlorophenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404607
1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 43873088
(3S)-1-ethylsulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30401682
(3R)-N-cyclohexyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302754
(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide (CID 43906695) is 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NC(C)c2cc(C)c(C)cc2C)C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is DHSNNOROFJXEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-16-9-10-23(31-6)24(12-16)32(29,30)27-11-7-8-21(15-27)25(28)26-20(5)22-14-18(3)17(2)13-19(22)4/h9-10,12-14,20-21H,7-8,11,15H2,1-6H3,(H,26,28).
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide?
1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 458.62 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43906695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).