N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide

C25H25N3O4S — CID 3244983

IUPACN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C25H25N3O4S/c1-31-22-11-5-3-9-20(22)25(30)26-12-13-28-16-23(19-8-2-4-10-21(19)28)33-17-24(29)27-15-18-7-6-14-32-18/h2-11,14,16H,12-13,15,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyZJIPOGYQDTWVOR-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.08
Rot. Bonds10

About N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide

N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide (PubChem CID 3244983) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
PubChem CID3244983
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C25H25N3O4S/c1-31-22-11-5-3-9-20(22)25(30)26-12-13-28-16-23(19-8-2-4-10-21(19)28)33-17-24(29)27-15-18-7-6-14-32-18/h2-11,14,16H,12-13,15,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyZJIPOGYQDTWVOR-UHFFFAOYSA-N
XLogP4.08
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide (CID 3244983) is N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCn1cc(SCC(=O)NCc2ccco2)c2ccccc21.
What is the InChIKey of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide?
The InChIKey is ZJIPOGYQDTWVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-31-22-11-5-3-9-20(22)25(30)26-12-13-28-16-23(19-8-2-4-10-21(19)28)33-17-24(29)27-15-18-7-6-14-32-18/h2-11,14,16H,12-13,15,17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide?
N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide has a molecular weight of 463.56 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 3244983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).