N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

C23H27N3O4S3 — CID 70888528

IUPACN-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2c1NC(C1=NCC3(CCC4(CC3)OCCO4)S1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H27N3O4S3/c1-26(33(27,28)19-6-3-13-31-19)18-5-2-4-16-14-17(25-20(16)18)21-24-15-22(32-21)7-9-23(10-8-22)29-11-12-30-23/h2-6,13,17,25H,7-12,14-15H2,1H3
InChIKeyJAXAHCGGSGFCAW-UHFFFAOYSA-N
MW505.69 g/mol
LogP4.11
Rot. Bonds4

About N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 70888528) has the molecular formula C23H27N3O4S3 and a molecular weight of 505.69 g/mol. Its IUPAC name is N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID70888528
Molecular FormulaC23H27N3O4S3
Molecular Weight505.69 g/mol
Exact Mass505.12
IUPAC NameN-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2c1NC(C1=NCC3(CCC4(CC3)OCCO4)S1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H27N3O4S3/c1-26(33(27,28)19-6-3-13-31-19)18-5-2-4-16-14-17(25-20(16)18)21-24-15-22(32-21)7-9-23(10-8-22)29-11-12-30-23/h2-6,13,17,25H,7-12,14-15H2,1H3
InChIKeyJAXAHCGGSGFCAW-UHFFFAOYSA-N
XLogP4.11
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.69
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide with MolForge

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Related Compounds

2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 70883604
N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 70860890
N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
CID 89040237
N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 89145829
N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 70883687
N-methyl-N-[2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 70928783
N-methyl-N-[2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 70883635
N-[2-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-5-methyl-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 59135738
N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide
CID 89068793
N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indole-2-carboxamide
CID 70860785
N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 70883677
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 27261173

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 70888528) is N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is CN(c1cccc2c1NC(C1=NCC3(CCC4(CC3)OCCO4)S1)C2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is JAXAHCGGSGFCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S3/c1-26(33(27,28)19-6-3-13-31-19)18-5-2-4-16-14-17(25-20(16)18)21-24-15-22(32-21)7-9-23(10-8-22)29-11-12-30-23/h2-6,13,17,25H,7-12,14-15H2,1H3.
What are the key properties of N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 505.69 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 70888528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).