1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide

C22H22N4O5S — CID 100758290

IUPAC1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)cc1
InChIInChI=1S/C22H22N4O5S/c1-30-17-6-4-14(5-7-17)21-24-20(31-25-21)13-23-32(28,29)18-8-9-19-16(12-18)10-11-26(19)22(27)15-2-3-15/h4-9,12,15,23H,2-3,10-11,13H2,1H3
InChIKeyNWPYUPKEXFFIQR-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.52
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 100758290) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID100758290
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC Name1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)cc1
InChIInChI=1S/C22H22N4O5S/c1-30-17-6-4-14(5-7-17)21-24-20(31-25-21)13-23-32(28,29)18-8-9-19-16(12-18)10-11-26(19)22(27)15-2-3-15/h4-9,12,15,23H,2-3,10-11,13H2,1H3
InChIKeyNWPYUPKEXFFIQR-UHFFFAOYSA-N
XLogP2.52
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(cyclopropanecarbonyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 100713818
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid
CID 110610672
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
1-(cyclopropanecarbonyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 100659201
1-[1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43927052
1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 100610018
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 100561594
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154665
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092470
1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 51596357
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3238776

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide (CID 100758290) is 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide is COc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NWPYUPKEXFFIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-30-17-6-4-14(5-7-17)21-24-20(31-25-21)13-23-32(28,29)18-8-9-19-16(12-18)10-11-26(19)22(27)15-2-3-15/h4-9,12,15,23H,2-3,10-11,13H2,1H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 454.51 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 100758290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).