N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide

C22H22N4O3S — CID 17398238

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c(-c2cccs2)[nH]c2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C22H22N4O3S/c27-18(25-26-20(28)22(24-21(26)29)10-4-1-5-11-22)13-15-14-7-2-3-8-16(14)23-19(15)17-9-6-12-30-17/h2-3,6-9,12,23H,1,4-5,10-11,13H2,(H,24,29)(H,25,27)
InChIKeyWLXAJCFXAJBFBJ-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.72
Rot. Bonds4

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide (PubChem CID 17398238) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide
PubChem CID17398238
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c(-c2cccs2)[nH]c2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C22H22N4O3S/c27-18(25-26-20(28)22(24-21(26)29)10-4-1-5-11-22)13-15-14-7-2-3-8-16(14)23-19(15)17-9-6-12-30-17/h2-3,6-9,12,23H,1,4-5,10-11,13H2,(H,24,29)(H,25,27)
InChIKeyWLXAJCFXAJBFBJ-UHFFFAOYSA-N
XLogP3.72
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide (CID 17398238) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide is O=C(Cc1c(-c2cccs2)[nH]c2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide?
The InChIKey is WLXAJCFXAJBFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-18(25-26-20(28)22(24-21(26)29)10-4-1-5-11-22)13-15-14-7-2-3-8-16(14)23-19(15)17-9-6-12-30-17/h2-3,6-9,12,23H,1,4-5,10-11,13H2,(H,24,29)(H,25,27).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide has a molecular weight of 422.51 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 17398238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).