N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide

C24H31N5O5S — CID 143877618

IUPACN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
SMILESCNc1cccn1CCC(NS(=O)(=O)c1cccc2[nH]ccc12)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C24H31N5O5S/c1-25-22-6-3-12-28(22)13-8-20(23(30)29-14-9-24(10-15-29)33-16-17-34-24)27-35(31,32)21-5-2-4-19-18(21)7-11-26-19/h2-7,11-12,20,25-27H,8-10,13-17H2,1H3
InChIKeyNPJVSAPXSVDEDL-UHFFFAOYSA-N
MW501.61 g/mol
LogP2.11
Rot. Bonds8

About N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide

N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide (PubChem CID 143877618) has the molecular formula C24H31N5O5S and a molecular weight of 501.61 g/mol. Its IUPAC name is N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
PubChem CID143877618
Molecular FormulaC24H31N5O5S
Molecular Weight501.61 g/mol
Exact Mass501.20
IUPAC NameN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
SMILESCNc1cccn1CCC(NS(=O)(=O)c1cccc2[nH]ccc12)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C24H31N5O5S/c1-25-22-6-3-12-28(22)13-8-20(23(30)29-14-9-24(10-15-29)33-16-17-34-24)27-35(31,32)21-5-2-4-19-18(21)7-11-26-19/h2-7,11-12,20,25-27H,8-10,13-17H2,1H3
InChIKeyNPJVSAPXSVDEDL-UHFFFAOYSA-N
XLogP2.11
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.61
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide with MolForge

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Related Compounds

N-[4-(2-cyanopyrrol-1-yl)-1-(4-fluoropiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509283
N-[4-(2-cyanopyrrol-1-yl)-1-(1,4-oxazepan-4-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509167
N-[4-(2-aminopyrrol-1-yl)-1-[4-(2-hydroxyacetyl)-1,4-diazepan-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 70963687
2-[1-[4-(2-aminopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]acetic acid
CID 70963678
methyl 3-[1-[4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]propanoate
CID 58509260
N-[4-(3-aminopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 70963904
N-[4-(5-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509204
N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide
CID 58504905
methyl 3-[1-[4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]prop-2-enoate
CID 76807879
N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 88882747
1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid
CID 123914930
1H-indole-4-sulfonamide;methyl 1-[2-[(3-chloro-1H-indol-4-yl)sulfonylamino]-4-(2-cyanopyrrol-1-yl)butanoyl]piperidine-4-carboxylate
CID 66885033

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
The IUPAC name of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide (CID 143877618) is N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide.
What is the SMILES notation for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
The canonical SMILES for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide is CNc1cccn1CCC(NS(=O)(=O)c1cccc2[nH]ccc12)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
The InChIKey is NPJVSAPXSVDEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O5S/c1-25-22-6-3-12-28(22)13-8-20(23(30)29-14-9-24(10-15-29)33-16-17-34-24)27-35(31,32)21-5-2-4-19-18(21)7-11-26-19/h2-7,11-12,20,25-27H,8-10,13-17H2,1H3.
What are the key properties of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide has a molecular weight of 501.61 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(methylamino)pyrrol-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide is sourced from PubChem (CID 143877618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).