N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide

C17H26N2O3S — CID 53092613

IUPACN-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C
InChIInChI=1S/C17H26N2O3S/c1-4-9-23(21,22)18-12-14-5-6-16-15(11-14)7-8-19(16)17(20)10-13(2)3/h5-6,11,13,18H,4,7-10,12H2,1-3H3
InChIKeyIKNGKCQWXKLSFO-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.45
Rot. Bonds7

About N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide

N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide (PubChem CID 53092613) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
PubChem CID53092613
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C
InChIInChI=1S/C17H26N2O3S/c1-4-9-23(21,22)18-12-14-5-6-16-15(11-14)7-8-19(16)17(20)10-13(2)3/h5-6,11,13,18H,4,7-10,12H2,1-3H3
InChIKeyIKNGKCQWXKLSFO-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468
3-chloro-4-fluoro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092634
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259881
1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide
CID 53092652
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53092628
1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259825
2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093940
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide
CID 53092689
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
4-bromo-N-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092662

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide (CID 53092613) is N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C.
What is the InChIKey of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide?
The InChIKey is IKNGKCQWXKLSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-9-23(21,22)18-12-14-5-6-16-15(11-14)7-8-19(16)17(20)10-13(2)3/h5-6,11,13,18H,4,7-10,12H2,1-3H3.
What are the key properties of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide?
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 53092613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).