3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide

C21H22N2O4S — CID 110303825

IUPAC3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C21H22N2O4S/c24-20(11-13-28(26,27)18-4-2-1-3-5-18)22-17-8-9-19-16(14-17)10-12-23(19)21(25)15-6-7-15/h1-5,8-9,14-15H,6-7,10-13H2,(H,22,24)
InChIKeyYNRRCVYYGIGHPV-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.79
Rot. Bonds6

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

3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide (PubChem CID 110303825) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
PubChem CID110303825
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C21H22N2O4S/c24-20(11-13-28(26,27)18-4-2-1-3-5-18)22-17-8-9-19-16(14-17)10-12-23(19)21(25)15-6-7-15/h1-5,8-9,14-15H,6-7,10-13H2,(H,22,24)
InChIKeyYNRRCVYYGIGHPV-UHFFFAOYSA-N
XLogP2.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 20950695
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(thiophen-2-ylmethyl)propanamide
CID 20950670
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-(3-methylphenyl)propanamide
CID 46248595
3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110623369
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 20950665
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 46248503
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide
CID 15997794
3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 20950660

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide (CID 110303825) is 3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)CCN2C(=O)C1CC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide?
The InChIKey is YNRRCVYYGIGHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-20(11-13-28(26,27)18-4-2-1-3-5-18)22-17-8-9-19-16(14-17)10-12-23(19)21(25)15-6-7-15/h1-5,8-9,14-15H,6-7,10-13H2,(H,22,24).
What are the key properties of 3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide?
3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide has a molecular weight of 398.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide is sourced from PubChem (CID 110303825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).