(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide

C20H29N3O4S — CID 92751303

IUPAC(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCCOC)C3)ccc21
InChIInChI=1S/C20H29N3O4S/c1-3-22-12-9-16-14-18(7-8-19(16)22)28(25,26)23-11-4-6-17(15-23)20(24)21-10-5-13-27-2/h7-9,12,14,17H,3-6,10-11,13,15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyZGKPLGRTUNMYTQ-KRWDZBQOSA-N
MW407.54 g/mol
LogP2.21
Rot. Bonds8

About (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide

(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide (PubChem CID 92751303) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
PubChem CID92751303
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCCOC)C3)ccc21
InChIInChI=1S/C20H29N3O4S/c1-3-22-12-9-16-14-18(7-8-19(16)22)28(25,26)23-11-4-6-17(15-23)20(24)21-10-5-13-27-2/h7-9,12,14,17H,3-6,10-11,13,15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyZGKPLGRTUNMYTQ-KRWDZBQOSA-N
XLogP2.21
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(3-ethoxypropyl)-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92726167
(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
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751327
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
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3891100

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide (CID 92751303) is (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide is CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCCOC)C3)ccc21.
What is the InChIKey of (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
The InChIKey is ZGKPLGRTUNMYTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-3-22-12-9-16-14-18(7-8-19(16)22)28(25,26)23-11-4-6-17(15-23)20(24)21-10-5-13-27-2/h7-9,12,14,17H,3-6,10-11,13,15H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 92751303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).