1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide

C17H21N3O3S2 — CID 110289697

IUPAC1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1nccs1
InChIInChI=1S/C17H21N3O3S2/c1-11(2)8-14(17-18-6-7-24-17)19-25(22,23)13-4-5-15-12(9-13)10-16(21)20(15)3/h4-7,9,11,14,19H,8,10H2,1-3H3
InChIKeyXGVQLFSPTORCFP-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.73
Rot. Bonds6

About 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide (PubChem CID 110289697) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide
PubChem CID110289697
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1nccs1
InChIInChI=1S/C17H21N3O3S2/c1-11(2)8-14(17-18-6-7-24-17)19-25(22,23)13-4-5-15-12(9-13)10-16(21)20(15)3/h4-7,9,11,14,19H,8,10H2,1-3H3
InChIKeyXGVQLFSPTORCFP-UHFFFAOYSA-N
XLogP2.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide with MolForge

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Related Compounds

3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
CID 110289684
1-methyl-2-oxo-N-(1-pyridin-4-ylethyl)-3H-indole-5-sulfonamide
CID 110724562
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide
CID 110351456
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725
1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403443
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
CID 110289700
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 146147662
1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide
CID 110347532
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide (CID 110289697) is 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide is CC(C)CC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1nccs1.
What is the InChIKey of 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is XGVQLFSPTORCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-11(2)8-14(17-18-6-7-24-17)19-25(22,23)13-4-5-15-12(9-13)10-16(21)20(15)3/h4-7,9,11,14,19H,8,10H2,1-3H3.
What are the key properties of 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide?
1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 379.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 110289697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).