(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide

C25H31N3O5S — CID 92751328

IUPAC(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cc(OC)ccc4OC)C3)ccc21
InChIInChI=1S/C25H31N3O5S/c1-4-27-13-11-18-15-22(8-9-23(18)27)34(30,31)28-12-5-6-19(17-28)25(29)26-16-20-14-21(32-2)7-10-24(20)33-3/h7-11,13-15,19H,4-6,12,16-17H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyWNFJAITWLLADTN-LJQANCHMSA-N
MW485.61 g/mol
LogP3.40
Rot. Bonds8

About (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 92751328) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
PubChem CID92751328
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cc(OC)ccc4OC)C3)ccc21
InChIInChI=1S/C25H31N3O5S/c1-4-27-13-11-18-15-22(8-9-23(18)27)34(30,31)28-12-5-6-19(17-28)25(29)26-16-20-14-21(32-2)7-10-24(20)33-3/h7-11,13-15,19H,4-6,12,16-17H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyWNFJAITWLLADTN-LJQANCHMSA-N
XLogP3.40
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751327
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751320
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244
1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 20966237
(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 92751303
(3S)-N-(3-ethoxypropyl)-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92726167
(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-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 6624432
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861869

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide (CID 92751328) is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide is CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cc(OC)ccc4OC)C3)ccc21.
What is the InChIKey of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is WNFJAITWLLADTN-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-4-27-13-11-18-15-22(8-9-23(18)27)34(30,31)28-12-5-6-19(17-28)25(29)26-16-20-14-21(32-2)7-10-24(20)33-3/h7-11,13-15,19H,4-6,12,16-17H2,1-3H3,(H,26,29)/t19-/m1/s1.
What are the key properties of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92751328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).