N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

C20H30N2O4S — CID 20853429

IUPACN-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCCCN(CC)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C20H30N2O4S/c1-4-7-12-21(6-3)20(24)11-14-27(25,26)17-8-9-18-16(15-17)10-13-22(18)19(23)5-2/h8-9,15H,4-7,10-14H2,1-3H3
InChIKeyCDRVFSGVDASSGD-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.80
Rot. Bonds9

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

N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 20853429) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
PubChem CID20853429
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCCCN(CC)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C20H30N2O4S/c1-4-7-12-21(6-3)20(24)11-14-27(25,26)17-8-9-18-16(15-17)10-13-22(18)19(23)5-2/h8-9,15H,4-7,10-14H2,1-3H3
InChIKeyCDRVFSGVDASSGD-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

3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide
CID 20853417
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide
CID 46506133
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
4-[5-[butyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864308
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
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
5-(diethylsulfamoyl)-N-ethyl-N-(3-phenylpropyl)-2,3-dihydroindole-1-carboxamide
CID 118398529
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 100765135

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 20853429) is N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCCCN(CC)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC.
What is the InChIKey of N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The InChIKey is CDRVFSGVDASSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-4-7-12-21(6-3)20(24)11-14-27(25,26)17-8-9-18-16(15-17)10-13-22(18)19(23)5-2/h8-9,15H,4-7,10-14H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide 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 N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 20853429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).