2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide

C24H27N5O4S — CID 52938305

IUPAC2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
InChIInChI=1S/C24H27N5O4S/c1-15(2)32-22-10-7-16(13-17(22)14-25)24-28-23(29-33-24)20-6-4-5-19-18(20)8-9-21(19)27-11-12-34(30,31)26-3/h4-7,10,13,15,21,26-27H,8-9,11-12H2,1-3H3
InChIKeyRZZHJJDDKLMVJP-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.19
Rot. Bonds9

About 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide

2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide (PubChem CID 52938305) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide
PubChem CID52938305
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
InChIInChI=1S/C24H27N5O4S/c1-15(2)32-22-10-7-16(13-17(22)14-25)24-28-23(29-33-24)20-6-4-5-19-18(20)8-9-21(19)27-11-12-34(30,31)26-3/h4-7,10,13,15,21,26-27H,8-9,11-12H2,1-3H3
InChIKeyRZZHJJDDKLMVJP-UHFFFAOYSA-N
XLogP3.19
TPSA130.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide (CID 52938305) is 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.
What is the InChIKey of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide?
The InChIKey is RZZHJJDDKLMVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-15(2)32-22-10-7-16(13-17(22)14-25)24-28-23(29-33-24)20-6-4-5-19-18(20)8-9-21(19)27-11-12-34(30,31)26-3/h4-7,10,13,15,21,26-27H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide?
2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide has a molecular weight of 481.58 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 52938305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).