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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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).