3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide

C18H22N2O3S2 — CID 171133386

IUPAC3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCc2cccs2)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C18H22N2O3S2/c1-12-10-14(11-15-16(12)20-17(21)18(15,2)3)25(22,23)19-8-4-6-13-7-5-9-24-13/h5,7,9-11,19H,4,6,8H2,1-3H3,(H,20,21)
InChIKeyOBLLQXXVOJEGIX-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.20
Rot. Bonds6

About 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide

3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide (PubChem CID 171133386) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide
PubChem CID171133386
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCc2cccs2)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C18H22N2O3S2/c1-12-10-14(11-15-16(12)20-17(21)18(15,2)3)25(22,23)19-8-4-6-13-7-5-9-24-13/h5,7,9-11,19H,4,6,8H2,1-3H3,(H,20,21)
InChIKeyOBLLQXXVOJEGIX-UHFFFAOYSA-N
XLogP3.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56731590
3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide
CID 56731610
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
CID 171138546
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43853598
N-[2-methyl-4-(2-thiophen-2-ylethylsulfamoyl)phenyl]acetamide
CID 58962527
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127
5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114132189

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide (CID 171133386) is 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide is Cc1cc(S(=O)(=O)NCCCc2cccs2)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide?
The InChIKey is OBLLQXXVOJEGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12-10-14(11-15-16(12)20-17(21)18(15,2)3)25(22,23)19-8-4-6-13-7-5-9-24-13/h5,7,9-11,19H,4,6,8H2,1-3H3,(H,20,21).
What are the key properties of 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide?
3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 171133386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).