5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide

C17H18ClN3OS — CID 134002449

IUPAC5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccs1
InChIInChI=1S/C17H18ClN3OS/c1-21(2)15(16-4-3-7-23-16)10-19-17(22)14-9-11-8-12(18)5-6-13(11)20-14/h3-9,15,20H,10H2,1-2H3,(H,19,22)
InChIKeyFZDCRFDEPRCWDG-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.92
Rot. Bonds5

About 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide (PubChem CID 134002449) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
PubChem CID134002449
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccs1
InChIInChI=1S/C17H18ClN3OS/c1-21(2)15(16-4-3-7-23-16)10-19-17(22)14-9-11-8-12(18)5-6-13(11)20-14/h3-9,15,20H,10H2,1-2H3,(H,19,22)
InChIKeyFZDCRFDEPRCWDG-UHFFFAOYSA-N
XLogP3.92
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide
CID 36709921
6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 55597884
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94480374
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94480375
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 43045162
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 4827380
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 39988576
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide (CID 134002449) is 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide is CN(C)C(CNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccs1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
The InChIKey is FZDCRFDEPRCWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c1-21(2)15(16-4-3-7-23-16)10-19-17(22)14-9-11-8-12(18)5-6-13(11)20-14/h3-9,15,20H,10H2,1-2H3,(H,19,22).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide has a molecular weight of 347.87 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 134002449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).