(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide

C25H31N3O3S — CID 92751286

IUPAC(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccc(C)cc4)C3)ccc21
InChIInChI=1S/C25H31N3O3S/c1-3-27-16-13-21-17-23(10-11-24(21)27)32(30,31)28-15-4-5-22(18-28)25(29)26-14-12-20-8-6-19(2)7-9-20/h6-11,13,16-17,22H,3-5,12,14-15,18H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyMUYXSNBRAOSQFQ-JOCHJYFZSA-N
MW453.61 g/mol
LogP3.73
Rot. Bonds7

About (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide

(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 92751286) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID92751286
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC Name(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccc(C)cc4)C3)ccc21
InChIInChI=1S/C25H31N3O3S/c1-3-27-16-13-21-17-23(10-11-24(21)27)32(30,31)28-15-4-5-22(18-28)25(29)26-14-12-20-8-6-19(2)7-9-20/h6-11,13,16-17,22H,3-5,12,14-15,18H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyMUYXSNBRAOSQFQ-JOCHJYFZSA-N
XLogP3.73
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
(3S)-N-(3-ethoxypropyl)-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92726167
(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 92751303
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 20966237
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751320
(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712242

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (CID 92751286) is (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccc(C)cc4)C3)ccc21.
What is the InChIKey of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is MUYXSNBRAOSQFQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-3-27-16-13-21-17-23(10-11-24(21)27)32(30,31)28-15-4-5-22(18-28)25(29)26-14-12-20-8-6-19(2)7-9-20/h6-11,13,16-17,22H,3-5,12,14-15,18H2,1-2H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 92751286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).