(3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide

C22H26N4O5S2 — CID 93068330

IUPAC(3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)C1
InChIInChI=1S/C22H26N4O5S2/c1-4-30-18-10-6-5-9-17(18)24-22(27)16-8-7-11-26(13-16)33(28,29)20-12-19(32-14(20)2)21-23-15(3)31-25-21/h5-6,9-10,12,16H,4,7-8,11,13H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyCRNNSPCSRQNSIX-INIZCTEOSA-N
MW490.61 g/mol
LogP3.85
Rot. Bonds7

About (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide

(3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 93068330) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
PubChem CID93068330
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC Name(3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)C1
InChIInChI=1S/C22H26N4O5S2/c1-4-30-18-10-6-5-9-17(18)24-22(27)16-8-7-11-26(13-16)33(28,29)20-12-19(32-14(20)2)21-23-15(3)31-25-21/h5-6,9-10,12,16H,4,7-8,11,13H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyCRNNSPCSRQNSIX-INIZCTEOSA-N
XLogP3.85
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 46366107
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 46288566
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075433
N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007082
(3R)-N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075328
(3R)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075371
N-(4-fluorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042406
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 93075420
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 93075384
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 53042422
(3S)-N-(2-ethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075629
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide (CID 93068330) is (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)C1.
What is the InChIKey of (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is CRNNSPCSRQNSIX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-4-30-18-10-6-5-9-17(18)24-22(27)16-8-7-11-26(13-16)33(28,29)20-12-19(32-14(20)2)21-23-15(3)31-25-21/h5-6,9-10,12,16H,4,7-8,11,13H2,1-3H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
(3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 93068330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).