4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide

C24H27N3O4S — CID 3236279

IUPAC4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C24H27N3O4S/c1-30-19-8-6-18(7-9-19)24(29)25-10-11-27-16-22(20-4-2-3-5-21(20)27)32-17-23(28)26-12-14-31-15-13-26/h2-9,16H,10-15,17H2,1H3,(H,25,29)
InChIKeyRVZZHPGOPCJKAM-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.03
Rot. Bonds8

About 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide

4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 3236279) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide
PubChem CID3236279
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C24H27N3O4S/c1-30-19-8-6-18(7-9-19)24(29)25-10-11-27-16-22(20-4-2-3-5-21(20)27)32-17-23(28)26-12-14-31-15-13-26/h2-9,16H,10-15,17H2,1H3,(H,25,29)
InChIKeyRVZZHPGOPCJKAM-UHFFFAOYSA-N
XLogP3.03
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide (CID 3236279) is 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide is COc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is RVZZHPGOPCJKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-30-19-8-6-18(7-9-19)24(29)25-10-11-27-16-22(20-4-2-3-5-21(20)27)32-17-23(28)26-12-14-31-15-13-26/h2-9,16H,10-15,17H2,1H3,(H,25,29).
What are the key properties of 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide?
4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 453.56 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 3236279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).