N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide

C21H26N2OS — CID 42774807

IUPACN-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCC(C)CCNC(=O)CC(c1cccs1)c1cn(C)c2ccccc12
InChIInChI=1S/C21H26N2OS/c1-15(2)10-11-22-21(24)13-17(20-9-6-12-25-20)18-14-23(3)19-8-5-4-7-16(18)19/h4-9,12,14-15,17H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyGYIHLLMLVFSNKO-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.92
Rot. Bonds7

About N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide

N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide (PubChem CID 42774807) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
PubChem CID42774807
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCC(C)CCNC(=O)CC(c1cccs1)c1cn(C)c2ccccc12
InChIInChI=1S/C21H26N2OS/c1-15(2)10-11-22-21(24)13-17(20-9-6-12-25-20)18-14-23(3)19-8-5-4-7-16(18)19/h4-9,12,14-15,17H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyGYIHLLMLVFSNKO-UHFFFAOYSA-N
XLogP4.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide 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

3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 42778058
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774772
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide
CID 3620283
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
CID 42774774
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
1-methyl-3-(1-thiophen-2-ylethyl)indole
CID 23649825
3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide
CID 42774657
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
CID 5087383
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylpropanamide
CID 4259550

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide (CID 42774807) is N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide is CC(C)CCNC(=O)CC(c1cccs1)c1cn(C)c2ccccc12.
What is the InChIKey of N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is GYIHLLMLVFSNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-15(2)10-11-22-21(24)13-17(20-9-6-12-25-20)18-14-23(3)19-8-5-4-7-16(18)19/h4-9,12,14-15,17H,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide?
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 354.52 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42774807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).