4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide

C17H18N2OS — CID 2525315

IUPAC4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1cccs1
InChIInChI=1S/C17H18N2OS/c20-17(19-12-14-6-4-10-21-14)9-3-5-13-11-18-16-8-2-1-7-15(13)16/h1-2,4,6-8,10-11,18H,3,5,9,12H2,(H,19,20)
InChIKeyYGDIBUJFPFPDFC-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.87
Rot. Bonds6

About 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide

4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 2525315) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID2525315
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1cccs1
InChIInChI=1S/C17H18N2OS/c20-17(19-12-14-6-4-10-21-14)9-3-5-13-11-18-16-8-2-1-7-15(13)16/h1-2,4,6-8,10-11,18H,3,5,9,12H2,(H,19,20)
InChIKeyYGDIBUJFPFPDFC-UHFFFAOYSA-N
XLogP3.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide 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

Camalexin
CID 636970
N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
N-[2-(1H-indol-3-yl)ethyl]docosanamide
CID 10311044
N-Palmitoyltryptamine
CID 3726592
N-[2-(1H-indol-3-yl)ethyl]tetracosanamide
CID 10174581
(2S)-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-(1H-indol-3-yl)-2-[2-(thiophen-2-yl)acetamido]propanamido]propanamido]pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]butanediamide
CID 117072558
(25Z)-N-[2-(1H-Indol-3-YL)ethyl]triacont-25-enamide
CID 101428698
N-[2-(1H-indol-3-yl)ethyl]icosanamide
CID 10127573
N-[2-(1H-indol-3-yl)ethyl]hexacosanamide
CID 10530465
N-[2-(1H-indol-3-yl)ethyl]tricosanamide
CID 10625101
N-[2-(1H-indol-3-yl)ethyl]pentacosanamide
CID 10792189
N-[2-(1H-indol-3-yl)ethyl]octadecanamide
CID 11796710

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 2525315) is 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCc1cccs1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is YGDIBUJFPFPDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-17(19-12-14-6-4-10-21-14)9-3-5-13-11-18-16-8-2-1-7-15(13)16/h1-2,4,6-8,10-11,18H,3,5,9,12H2,(H,19,20).
What are the key properties of 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 298.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 2525315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).