1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide

C22H27N3O3S2 — CID 46349864

IUPAC1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCCC(C(=O)NCCc4cccs4)C3)ccc21
InChIInChI=1S/C22H27N3O3S2/c1-2-24-13-10-17-15-20(7-8-21(17)24)30(27,28)25-12-3-5-18(16-25)22(26)23-11-9-19-6-4-14-29-19/h4,6-8,10,13-15,18H,2-3,5,9,11-12,16H2,1H3,(H,23,26)
InChIKeyTTYMMWSTUUGDMS-UHFFFAOYSA-N
MW445.61 g/mol
LogP3.48
Rot. Bonds7

About 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide

1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide (PubChem CID 46349864) has the molecular formula C22H27N3O3S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
PubChem CID46349864
Molecular FormulaC22H27N3O3S2
Molecular Weight445.61 g/mol
Exact Mass445.15
IUPAC Name1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCCC(C(=O)NCCc4cccs4)C3)ccc21
InChIInChI=1S/C22H27N3O3S2/c1-2-24-13-10-17-15-20(7-8-21(17)24)30(27,28)25-12-3-5-18(16-25)22(26)23-11-9-19-6-4-14-29-19/h4,6-8,10,13-15,18H,2-3,5,9,11-12,16H2,1H3,(H,23,26)
InChIKeyTTYMMWSTUUGDMS-UHFFFAOYSA-N
XLogP3.48
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
(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-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 20966237
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751320
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751327
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244
(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712242
[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 93306232

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide (CID 46349864) is 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide is CCn1ccc2cc(S(=O)(=O)N3CCCC(C(=O)NCCc4cccs4)C3)ccc21.
What is the InChIKey of 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is TTYMMWSTUUGDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S2/c1-2-24-13-10-17-15-20(7-8-21(17)24)30(27,28)25-12-3-5-18(16-25)22(26)23-11-9-19-6-4-14-29-19/h4,6-8,10,13-15,18H,2-3,5,9,11-12,16H2,1H3,(H,23,26).
What are the key properties of 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46349864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).