N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide

C19H22N2OS — CID 45148699

IUPACN-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2OS/c1-3-4-11-18(22)21(2)19(17-10-7-12-23-17)15-13-20-16-9-6-5-8-14(15)16/h5-10,12-13,19-20H,3-4,11H2,1-2H3
InChIKeySAKMLKYCBRFUIT-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.97
Rot. Bonds6

About N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide

N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide (PubChem CID 45148699) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide
PubChem CID45148699
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC NameN-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2OS/c1-3-4-11-18(22)21(2)19(17-10-7-12-23-17)15-13-20-16-9-6-5-8-14(15)16/h5-10,12-13,19-20H,3-4,11H2,1-2H3
InChIKeySAKMLKYCBRFUIT-UHFFFAOYSA-N
XLogP4.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide 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-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 38997374
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 43843126
N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide
CID 26741856
2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 20895193
2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 26821155
4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide
CID 26821151
N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenoxy)acetamide
CID 26821173
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
1-butyl-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]thiourea
CID 42997038
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645734
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645699

Frequently Asked Questions

What is the IUPAC name of N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide?
The IUPAC name of N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide (CID 45148699) is N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide.
What is the SMILES notation for N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide?
The canonical SMILES for N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide is CCCCC(=O)N(C)C(c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide?
The InChIKey is SAKMLKYCBRFUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-3-4-11-18(22)21(2)19(17-10-7-12-23-17)15-13-20-16-9-6-5-8-14(15)16/h5-10,12-13,19-20H,3-4,11H2,1-2H3.
What are the key properties of N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide?
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide has a molecular weight of 326.46 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide is sourced from PubChem (CID 45148699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).