5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide

C17H17ClN2OS — CID 16646005

IUPAC5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide
SMILESCc1c(C(=O)NCCc2cccs2)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C17H17ClN2OS/c1-11-14-10-12(18)5-6-15(14)20(2)16(11)17(21)19-8-7-13-4-3-9-22-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyUJOIPHFPRVPDNS-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.17
Rot. Bonds4

About 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide

5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide (PubChem CID 16646005) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide
PubChem CID16646005
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide
SMILESCc1c(C(=O)NCCc2cccs2)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C17H17ClN2OS/c1-11-14-10-12(18)5-6-15(14)20(2)16(11)17(21)19-8-7-13-4-3-9-22-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyUJOIPHFPRVPDNS-UHFFFAOYSA-N
XLogP4.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 39851344
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110768844
1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide
CID 46964508
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62167624
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide (CID 16646005) is 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide is Cc1c(C(=O)NCCc2cccs2)n(C)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide?
The InChIKey is UJOIPHFPRVPDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-11-14-10-12(18)5-6-15(14)20(2)16(11)17(21)19-8-7-13-4-3-9-22-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide?
5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide has a molecular weight of 332.86 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 16646005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).