1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide

C22H27N3O4S — CID 20966237

IUPAC1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc(C)o4)C3)ccc21
InChIInChI=1S/C22H27N3O4S/c1-3-24-12-10-17-13-20(8-9-21(17)24)30(27,28)25-11-4-5-18(15-25)22(26)23-14-19-7-6-16(2)29-19/h6-10,12-13,18H,3-5,11,14-15H2,1-2H3,(H,23,26)
InChIKeyYGEFEHBCHLXHRJ-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.28
Rot. Bonds6

About 1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide

1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 20966237) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
PubChem CID20966237
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc(C)o4)C3)ccc21
InChIInChI=1S/C22H27N3O4S/c1-3-24-12-10-17-13-20(8-9-21(17)24)30(27,28)25-11-4-5-18(15-25)22(26)23-14-19-7-6-16(2)29-19/h6-10,12-13,18H,3-5,11,14-15H2,1-2H3,(H,23,26)
InChIKeyYGEFEHBCHLXHRJ-UHFFFAOYSA-N
XLogP3.28
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751320
(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-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751327
[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 93306232
1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 20966193

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide (CID 20966237) is 1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide is CCn1ccc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc(C)o4)C3)ccc21.
What is the InChIKey of 1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is YGEFEHBCHLXHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-24-12-10-17-13-20(8-9-21(17)24)30(27,28)25-11-4-5-18(15-25)22(26)23-14-19-7-6-16(2)29-19/h6-10,12-13,18H,3-5,11,14-15H2,1-2H3,(H,23,26).
What are the key properties of 1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.28, 6 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-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 20966237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).