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

C24H24N4O4S — CID 52938180

IUPACN-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)C3CC3)no2)cc1C#N
InChIInChI=1S/C24H24N4O4S/c1-14(2)31-22-11-6-15(12-16(22)13-25)24-26-23(27-32-24)20-5-3-4-19-18(20)9-10-21(19)28-33(29,30)17-7-8-17/h3-6,11-12,14,17,21,28H,7-10H2,1-2H3/t21-/m0/s1
InChIKeyAOQJMKFJCICUNO-NRFANRHFSA-N
MW464.55 g/mol
LogP4.13
Rot. Bonds7

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

N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide (PubChem CID 52938180) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide
PubChem CID52938180
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)C3CC3)no2)cc1C#N
InChIInChI=1S/C24H24N4O4S/c1-14(2)31-22-11-6-15(12-16(22)13-25)24-26-23(27-32-24)20-5-3-4-19-18(20)9-10-21(19)28-33(29,30)17-7-8-17/h3-6,11-12,14,17,21,28H,7-10H2,1-2H3/t21-/m0/s1
InChIKeyAOQJMKFJCICUNO-NRFANRHFSA-N
XLogP4.13
TPSA118.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide (CID 52938180) is N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)C3CC3)no2)cc1C#N.
What is the InChIKey of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide?
The InChIKey is AOQJMKFJCICUNO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-14(2)31-22-11-6-15(12-16(22)13-25)24-26-23(27-32-24)20-5-3-4-19-18(20)9-10-21(19)28-33(29,30)17-7-8-17/h3-6,11-12,14,17,21,28H,7-10H2,1-2H3/t21-/m0/s1.
What are the key properties of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide?
N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanesulfonamide is sourced from PubChem (CID 52938180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).