N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide

C19H26N2O4S — CID 71704377

IUPACN-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide
SMILESCOCCn1cc(CCCC(=O)NC2CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C19H26N2O4S/c1-25-11-10-21-13-15(17-6-2-3-7-18(17)21)5-4-8-19(22)20-16-9-12-26(23,24)14-16/h2-3,6-7,13,16H,4-5,8-12,14H2,1H3,(H,20,22)
InChIKeyPRLCGQXIOFWPRR-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.91
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide

N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide (PubChem CID 71704377) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide
PubChem CID71704377
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide
SMILESCOCCn1cc(CCCC(=O)NC2CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C19H26N2O4S/c1-25-11-10-21-13-15(17-6-2-3-7-18(17)21)5-4-8-19(22)20-16-9-12-26(23,24)14-16/h2-3,6-7,13,16H,4-5,8-12,14H2,1H3,(H,20,22)
InChIKeyPRLCGQXIOFWPRR-UHFFFAOYSA-N
XLogP1.91
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]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

N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide
CID 71702598
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123918
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
3-[1-(2-methoxyethyl)indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 71701153
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-(1,1-dioxothiolan-3-yl)-4-pyrrol-1-ylbutanamide
CID 128963547
N-(1,1-dioxothiolan-3-yl)-4-(3-methylphenoxy)butanamide
CID 46558987
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927
N-(1,1-dioxothiolan-3-yl)-3-phenylsulfanylpropanamide
CID 51073754

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide (CID 71704377) is N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide is COCCn1cc(CCCC(=O)NC2CCS(=O)(=O)C2)c2ccccc21.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide?
The InChIKey is PRLCGQXIOFWPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-25-11-10-21-13-15(17-6-2-3-7-18(17)21)5-4-8-19(22)20-16-9-12-26(23,24)14-16/h2-3,6-7,13,16H,4-5,8-12,14H2,1H3,(H,20,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide?
N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide has a molecular weight of 378.49 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide is sourced from PubChem (CID 71704377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).