2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide

C16H16N2O3S2 — CID 46281903

IUPAC2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(S(=O)(=O)NCc3cccs3)cc21
InChIInChI=1S/C16H16N2O3S2/c1-10(2)15-13-8-12(5-6-14(13)18-16(15)19)23(20,21)17-9-11-4-3-7-22-11/h3-8,17H,9H2,1-2H3,(H,18,19)
InChIKeyJPXZIRJYCAPBMN-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.97
Rot. Bonds4

About 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide

2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide (PubChem CID 46281903) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
PubChem CID46281903
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(S(=O)(=O)NCc3cccs3)cc21
InChIInChI=1S/C16H16N2O3S2/c1-10(2)15-13-8-12(5-6-14(13)18-16(15)19)23(20,21)17-9-11-4-3-7-22-11/h3-8,17H,9H2,1-2H3,(H,18,19)
InChIKeyJPXZIRJYCAPBMN-UHFFFAOYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 6624556
N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281899
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281837
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
4-chloro-3-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1259590
N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281916
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide?
The IUPAC name of 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide (CID 46281903) is 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide is CC(C)=C1C(=O)Nc2ccc(S(=O)(=O)NCc3cccs3)cc21.
What is the InChIKey of 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide?
The InChIKey is JPXZIRJYCAPBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-10(2)15-13-8-12(5-6-14(13)18-16(15)19)23(20,21)17-9-11-4-3-7-22-11/h3-8,17H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide?
2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 46281903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).