N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide

C25H25N3O4S — CID 3243605

IUPACN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2cc(SCC(=O)NCc3ccco3)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O4S/c1-31-19-10-8-18(9-11-19)25(30)26-12-13-28-16-23(21-6-2-3-7-22(21)28)33-17-24(29)27-15-20-5-4-14-32-20/h2-11,14,16H,12-13,15,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyOMJXBESEKMVXDM-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.08
Rot. Bonds10

About N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide

N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide (PubChem CID 3243605) 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]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
PubChem CID3243605
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2cc(SCC(=O)NCc3ccco3)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O4S/c1-31-19-10-8-18(9-11-19)25(30)26-12-13-28-16-23(21-6-2-3-7-22(21)28)33-17-24(29)27-15-20-5-4-14-32-20/h2-11,14,16H,12-13,15,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyOMJXBESEKMVXDM-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

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(thiophene-2-carbonyl)piperidine-1-carboxamide
CID 145964683
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(furan-2-ylmethyl)-2-oxoacetamide
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N-Furan-2-ylmethyl-2-(3-propionyl-indol-1-yl)-acetamide
CID 955329
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 582676
2-Amino-N-furan-2-ylmethyl-3-(1H-indol-3-yl)-propionamide
CID 582509
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 17580014
methyl 1-{2-[(2-furylmethyl)amino]-2-oxoethyl}-1H-indole-3-carboxylate
CID 952055
2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 973997
3-(1-Benzyl-1H-indol-3-yl)-2-cyano-N-furan-2-ylmethyl-acrylamide
CID 1073560
2-Cyano-N-furan-2-ylmethyl-3-{1-[2-(4-methoxy-phenoxy)-ethyl]-1H-indol-3-yl}-acrylamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide (CID 3243605) is N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCn2cc(SCC(=O)NCc3ccco3)c3ccccc32)cc1.
What is the InChIKey of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide?
The InChIKey is OMJXBESEKMVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-31-19-10-8-18(9-11-19)25(30)26-12-13-28-16-23(21-6-2-3-7-22(21)28)33-17-24(29)27-15-20-5-4-14-32-20/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]-4-methoxybenzamide?
N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-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]-4-methoxybenzamide is sourced from PubChem (CID 3243605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).