(3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide

C23H30N2O4S — CID 126379679

IUPAC(3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C23H30N2O4S/c1-5-18-9-6-8-16(2)22(18)24-23(26)19-10-7-13-25(15-19)30(27,28)20-11-12-21(29-4)17(3)14-20/h6,8-9,11-12,14,19H,5,7,10,13,15H2,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyFHUPMSPNDREBDG-LJQANCHMSA-N
MW430.57 g/mol
LogP3.91
Rot. Bonds6

About (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 126379679) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID126379679
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name(3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C23H30N2O4S/c1-5-18-9-6-8-16(2)22(18)24-23(26)19-10-7-13-25(15-19)30(27,28)20-11-12-21(29-4)17(3)14-20/h6,8-9,11-12,14,19H,5,7,10,13,15H2,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyFHUPMSPNDREBDG-LJQANCHMSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2,6-diethylphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40975789
(3R)-N-(4-bromo-2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100795949
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3931290
(3S)-N-(3-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302430
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40628353
N-(4-bromo-2-ethyl-6-methylphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133155274
(3R)-N-(2-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2238304
(3R)-N-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302559
(3R)-N-(4-bromo-2,6-diethylphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100796142
ethyl 2-[4-[[1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]acetate
CID 133159617
(3R)-N-(4-bromo-2-ethyl-6-methylphenyl)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100796045
(3S)-N-(4-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302313

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 126379679) is (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide is CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1.
What is the InChIKey of (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is FHUPMSPNDREBDG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-5-18-9-6-8-16(2)22(18)24-23(26)19-10-7-13-25(15-19)30(27,28)20-11-12-21(29-4)17(3)14-20/h6,8-9,11-12,14,19H,5,7,10,13,15H2,1-4H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 126379679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).