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

C24H23N3O3S — CID 4145602

IUPACN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C24H23N3O3S/c28-23(26-15-19-9-6-14-30-19)17-31-22-16-27(21-11-5-4-10-20(21)22)13-12-25-24(29)18-7-2-1-3-8-18/h1-11,14,16H,12-13,15,17H2,(H,25,29)(H,26,28)
InChIKeyAUFSDQIZCKYIQM-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.07
Rot. Bonds9

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

N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 4145602) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
PubChem CID4145602
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C24H23N3O3S/c28-23(26-15-19-9-6-14-30-19)17-31-22-16-27(21-11-5-4-10-20(21)22)13-12-25-24(29)18-7-2-1-3-8-18/h1-11,14,16H,12-13,15,17H2,(H,25,29)(H,26,28)
InChIKeyAUFSDQIZCKYIQM-UHFFFAOYSA-N
XLogP4.07
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]benzamide?
The IUPAC name of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 4145602) is N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is O=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)NCc1ccco1.
What is the InChIKey of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is AUFSDQIZCKYIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c28-23(26-15-19-9-6-14-30-19)17-31-22-16-27(21-11-5-4-10-20(21)22)13-12-25-24(29)18-7-2-1-3-8-18/h1-11,14,16H,12-13,15,17H2,(H,25,29)(H,26,28).
What are the key properties of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 433.53 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 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]benzamide is sourced from PubChem (CID 4145602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).