(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C23H30N2O4S — CID 100666449

IUPAC(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17-6-10-21(11-7-17)29-16-19(3)24-23(26)20-5-4-14-25(15-20)30(27,28)22-12-8-18(2)9-13-22/h6-13,19-20H,4-5,14-16H2,1-3H3,(H,24,26)/t19-,20-/m1/s1
InChIKeyFKTPBCPWSDJNMD-WOJBJXKFSA-N
MW430.57 g/mol
LogP3.29
Rot. Bonds7

About (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 100666449) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID100666449
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17-6-10-21(11-7-17)29-16-19(3)24-23(26)20-5-4-14-25(15-20)30(27,28)22-12-8-18(2)9-13-22/h6-13,19-20H,4-5,14-16H2,1-3H3,(H,24,26)/t19-,20-/m1/s1
InChIKeyFKTPBCPWSDJNMD-WOJBJXKFSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675994
(3R)-1-(benzenesulfonyl)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99254445
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100658335
1-(4-methoxyphenyl)sulfonyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167697
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521
(3R)-1-ethylsulfonyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 125042732
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
CID 94625034
(3R)-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95056916
(3S)-N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073136
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675979

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 100666449) is (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1.
What is the InChIKey of (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is FKTPBCPWSDJNMD-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17-6-10-21(11-7-17)29-16-19(3)24-23(26)20-5-4-14-25(15-20)30(27,28)22-12-8-18(2)9-13-22/h6-13,19-20H,4-5,14-16H2,1-3H3,(H,24,26)/t19-,20-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 100666449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).