5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide

C24H24N2O3S — CID 4900829

IUPAC5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
SMILESCOc1ccc2c(CCNC(=O)c3ccc(CSCc4ccccc4)o3)c[nH]c2c1
InChIInChI=1S/C24H24N2O3S/c1-28-19-7-9-21-18(14-26-22(21)13-19)11-12-25-24(27)23-10-8-20(29-23)16-30-15-17-5-3-2-4-6-17/h2-10,13-14,26H,11-12,15-16H2,1H3,(H,25,27)
InChIKeyHJJGOOKVWYXVGY-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.18
Rot. Bonds9

About 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide

5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 4900829) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
PubChem CID4900829
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
SMILESCOc1ccc2c(CCNC(=O)c3ccc(CSCc4ccccc4)o3)c[nH]c2c1
InChIInChI=1S/C24H24N2O3S/c1-28-19-7-9-21-18(14-26-22(21)13-19)11-12-25-24(27)23-10-8-20(29-23)16-30-15-17-5-3-2-4-6-17/h2-10,13-14,26H,11-12,15-16H2,1H3,(H,25,27)
InChIKeyHJJGOOKVWYXVGY-UHFFFAOYSA-N
XLogP5.18
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide 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-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 699102
3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide
CID 4972520
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(5-methylfuran-2-yl)propanamide
CID 4893594
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 4975348
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3252059
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046091
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 17053017

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide (CID 4900829) is 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide is COc1ccc2c(CCNC(=O)c3ccc(CSCc4ccccc4)o3)c[nH]c2c1.
What is the InChIKey of 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is HJJGOOKVWYXVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-28-19-7-9-21-18(14-26-22(21)13-19)11-12-25-24(27)23-10-8-20(29-23)16-30-15-17-5-3-2-4-6-17/h2-10,13-14,26H,11-12,15-16H2,1H3,(H,25,27).
What are the key properties of 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide?
5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4900829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).