N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide

C16H22N2OS — CID 103709293

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
SMILESCCC(CC)(CNC(=O)c1cccc2cc[nH]c12)SC
InChIInChI=1S/C16H22N2OS/c1-4-16(5-2,20-3)11-18-15(19)13-8-6-7-12-9-10-17-14(12)13/h6-10,17H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyVOUXXPHNNMYAJF-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.82
Rot. Bonds6

About N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide

N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide (PubChem CID 103709293) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
PubChem CID103709293
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
SMILESCCC(CC)(CNC(=O)c1cccc2cc[nH]c12)SC
InChIInChI=1S/C16H22N2OS/c1-4-16(5-2,20-3)11-18-15(19)13-8-6-7-12-9-10-17-14(12)13/h6-10,17H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyVOUXXPHNNMYAJF-UHFFFAOYSA-N
XLogP3.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
CID 111483563
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide
CID 115659861
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 111478785
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-3-nitrobenzamide
CID 103800350
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide
CID 103706674

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide (CID 103709293) is N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide is CCC(CC)(CNC(=O)c1cccc2cc[nH]c12)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide?
The InChIKey is VOUXXPHNNMYAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-16(5-2,20-3)11-18-15(19)13-8-6-7-12-9-10-17-14(12)13/h6-10,17H,4-5,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide?
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 103709293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).