3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

C20H27N3O5S — CID 50806732

IUPAC3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCC1CCCO1
InChIInChI=1S/C20H27N3O5S/c24-19(21-13-16-2-1-11-28-16)7-9-22-29(26,27)17-5-6-18-15(12-17)8-10-23(18)20(25)14-3-4-14/h5-6,12,14,16,22H,1-4,7-11,13H2,(H,21,24)
InChIKeySNUYAGPVCUVWIW-UHFFFAOYSA-N
MW421.52 g/mol
LogP0.95
Rot. Bonds8

About 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 50806732) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID50806732
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCC1CCCO1
InChIInChI=1S/C20H27N3O5S/c24-19(21-13-16-2-1-11-28-16)7-9-22-29(26,27)17-5-6-18-15(12-17)8-10-23(18)20(25)14-3-4-14/h5-6,12,14,16,22H,1-4,7-11,13H2,(H,21,24)
InChIKeySNUYAGPVCUVWIW-UHFFFAOYSA-N
XLogP0.95
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 15996296
1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 122174957
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
4-oxo-4-[5-(oxolan-2-ylmethylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 20864301
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-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185
N-(4-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361184
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361217
1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 46361239

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (CID 50806732) is 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCC1CCCO1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is SNUYAGPVCUVWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c24-19(21-13-16-2-1-11-28-16)7-9-22-29(26,27)17-5-6-18-15(12-17)8-10-23(18)20(25)14-3-4-14/h5-6,12,14,16,22H,1-4,7-11,13H2,(H,21,24).
What are the key properties of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 421.52 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 50806732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).