N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

C23H24N4O3S — CID 56581131

IUPACN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC(=O)C2(CCC(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)CC2)N1
InChIInChI=1S/C23H24N4O3S/c28-20(14-7-9-23(10-8-14)21(29)26-22(30)27-23)25-13-17(19-6-3-11-31-19)16-12-24-18-5-2-1-4-15(16)18/h1-6,11-12,14,17,24H,7-10,13H2,(H,25,28)(H2,26,27,29,30)
InChIKeyBHRKLSSJMCSBGN-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 56581131) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
PubChem CID56581131
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC(=O)C2(CCC(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)CC2)N1
InChIInChI=1S/C23H24N4O3S/c28-20(14-7-9-23(10-8-14)21(29)26-22(30)27-23)25-13-17(19-6-3-11-31-19)16-12-24-18-5-2-1-4-15(16)18/h1-6,11-12,14,17,24H,7-10,13H2,(H,25,28)(H2,26,27,29,30)
InChIKeyBHRKLSSJMCSBGN-UHFFFAOYSA-N
XLogP3.25
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 51924941
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 42934711
N-[2-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55370138
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 55329076
1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)thiourea
CID 55353480
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 9452151
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088810

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (CID 56581131) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is O=C1NC(=O)C2(CCC(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)CC2)N1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is BHRKLSSJMCSBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-20(14-7-9-23(10-8-14)21(29)26-22(30)27-23)25-13-17(19-6-3-11-31-19)16-12-24-18-5-2-1-4-15(16)18/h1-6,11-12,14,17,24H,7-10,13H2,(H,25,28)(H2,26,27,29,30).
What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 56581131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).