1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

C20H26N4O3S — CID 46972315

IUPAC1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1nn(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1C
InChIInChI=1S/C20H26N4O3S/c1-13-14(2)22-24(15(13)3)11-9-21-28(26,27)18-6-7-19-17(12-18)8-10-23(19)20(25)16-4-5-16/h6-7,12,16,21H,4-5,8-11H2,1-3H3
InChIKeyGVUVYLZXUCMZRL-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.09
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 46972315) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID46972315
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1nn(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1C
InChIInChI=1S/C20H26N4O3S/c1-13-14(2)22-24(15(13)3)11-9-21-28(26,27)18-6-7-19-17(12-18)8-10-23(19)20(25)16-4-5-16/h6-7,12,16,21H,4-5,8-11H2,1-3H3
InChIKeyGVUVYLZXUCMZRL-UHFFFAOYSA-N
XLogP2.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 51596357
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
1-(cyclobutanecarbonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 15996298
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
1-(cyclobutanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853294
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 46361259
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 100561594
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
1-(cyclopropanecarbonyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 100713818

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 46972315) is 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is Cc1nn(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1C.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GVUVYLZXUCMZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-13-14(2)22-24(15(13)3)11-9-21-28(26,27)18-6-7-19-17(12-18)8-10-23(19)20(25)16-4-5-16/h6-7,12,16,21H,4-5,8-11H2,1-3H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 46972315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).