(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide

C22H28N2O5S — CID 100658335

IUPAC(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O5S/c1-17(16-29-20-12-10-19(28-2)11-13-20)23-22(25)18-7-6-14-24(15-18)30(26,27)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3,(H,23,25)/t17-,18+/m0/s1
InChIKeyXAFILMFNSWWJPT-ZWKOTPCHSA-N
MW432.54 g/mol
LogP2.68
Rot. Bonds8

About (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide

(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide (PubChem CID 100658335) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
PubChem CID100658335
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O5S/c1-17(16-29-20-12-10-19(28-2)11-13-20)23-22(25)18-7-6-14-24(15-18)30(26,27)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3,(H,23,25)/t17-,18+/m0/s1
InChIKeyXAFILMFNSWWJPT-ZWKOTPCHSA-N
XLogP2.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99254445
1-(benzenesulfonyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167037
(3R)-1-ethylsulfonyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 125042732
(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666449
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
CID 94625034
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100659950
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675994
(3R)-1-(benzenesulfonyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100659942

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide (CID 100658335) is (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide is COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1.
What is the InChIKey of (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is XAFILMFNSWWJPT-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-17(16-29-20-12-10-19(28-2)11-13-20)23-22(25)18-7-6-14-24(15-18)30(26,27)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3,(H,23,25)/t17-,18+/m0/s1.
What are the key properties of (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide?
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 100658335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).