3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide

C20H30N2O4S — CID 20853417

IUPAC3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C20H30N2O4S/c1-4-11-21(12-5-2)20(24)10-14-27(25,26)17-7-8-18-16(15-17)9-13-22(18)19(23)6-3/h7-8,15H,4-6,9-14H2,1-3H3
InChIKeyYPVYXCCSYQMOSW-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.80
Rot. Bonds9

About 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide

3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide (PubChem CID 20853417) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide
PubChem CID20853417
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C20H30N2O4S/c1-4-11-21(12-5-2)20(24)10-14-27(25,26)17-7-8-18-16(15-17)9-13-22(18)19(23)6-3/h7-8,15H,4-6,9-14H2,1-3H3
InChIKeyYPVYXCCSYQMOSW-UHFFFAOYSA-N
XLogP2.80
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853429
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 15994881
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide
CID 15997794
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide
CID 46506133
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 20851711
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoic acid
CID 3239436
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853452
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15995314
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468
4-[5-[butyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864308

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide?
The IUPAC name of 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide (CID 20853417) is 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide?
The canonical SMILES for 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC.
What is the InChIKey of 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide?
The InChIKey is YPVYXCCSYQMOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-4-11-21(12-5-2)20(24)10-14-27(25,26)17-7-8-18-16(15-17)9-13-22(18)19(23)6-3/h7-8,15H,4-6,9-14H2,1-3H3.
What are the key properties of 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide?
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide has a molecular weight of 394.54 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide is sourced from PubChem (CID 20853417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).