(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide

C22H26N2O5S — CID 41302815

IUPAC(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C22H26N2O5S/c1-15-9-10-20(29-3)21(12-15)30(27,28)24-11-5-7-18(14-24)22(26)23-19-8-4-6-17(13-19)16(2)25/h4,6,8-10,12-13,18H,5,7,11,14H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyPDYCRUJRNPZPCO-SFHVURJKSA-N
MW430.53 g/mol
LogP3.25
Rot. Bonds6

About (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 41302815) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID41302815
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C22H26N2O5S/c1-15-9-10-20(29-3)21(12-15)30(27,28)24-11-5-7-18(14-24)22(26)23-19-8-4-6-17(13-19)16(2)25/h4,6,8-10,12-13,18H,5,7,11,14H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyPDYCRUJRNPZPCO-SFHVURJKSA-N
XLogP3.25
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481
(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817
(3R)-N-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126396882
(3R)-N-(2,6-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397204
1-(2-methoxy-5-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 3899735
(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 40595931
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2230257
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397193
ethyl 4-[[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41302811
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3931290
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 2986070
(3R)-N-cyclohexyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302754

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 41302815) is (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)=O)c2)C1.
What is the InChIKey of (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PDYCRUJRNPZPCO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-15-9-10-20(29-3)21(12-15)30(27,28)24-11-5-7-18(14-24)22(26)23-19-8-4-6-17(13-19)16(2)25/h4,6,8-10,12-13,18H,5,7,11,14H2,1-3H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41302815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).