6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide

C21H27N3OS — CID 55597884

IUPAC6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)c1cccs1
InChIInChI=1S/C21H27N3OS/c1-21(2,3)15-9-8-14-11-17(23-16(14)12-15)20(25)22-13-18(24(4)5)19-7-6-10-26-19/h6-12,18,23H,13H2,1-5H3,(H,22,25)
InChIKeyYFOVSVYDZKARBN-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.56
Rot. Bonds5

About 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide

6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide (PubChem CID 55597884) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
PubChem CID55597884
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)c1cccs1
InChIInChI=1S/C21H27N3OS/c1-21(2,3)15-9-8-14-11-17(23-16(14)12-15)20(25)22-13-18(24(4)5)19-7-6-10-26-19/h6-12,18,23H,13H2,1-5H3,(H,22,25)
InChIKeyYFOVSVYDZKARBN-UHFFFAOYSA-N
XLogP4.56
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.56
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
5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 134002449
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
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 4827380
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoline-2-carboxamide
CID 2474991
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 18161921
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 76897072

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide (CID 55597884) is 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide is CN(C)C(CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)c1cccs1.
What is the InChIKey of 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
The InChIKey is YFOVSVYDZKARBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-21(2,3)15-9-8-14-11-17(23-16(14)12-15)20(25)22-13-18(24(4)5)19-7-6-10-26-19/h6-12,18,23H,13H2,1-5H3,(H,22,25).
What are the key properties of 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55597884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).