2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide

C24H24N4O4S — CID 3241805

IUPAC2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
InChIInChI=1S/C24H24N4O4S/c1-16-13-22(27-32-16)26-23(29)15-33-21-14-28(19-9-5-3-7-17(19)21)12-11-25-24(30)18-8-4-6-10-20(18)31-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyOGVIXTLACOFXCC-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.11
Rot. Bonds9

About 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide

2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 3241805) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
PubChem CID3241805
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
InChIInChI=1S/C24H24N4O4S/c1-16-13-22(27-32-16)26-23(29)15-33-21-14-28(19-9-5-3-7-17(19)21)12-11-25-24(30)18-8-4-6-10-20(18)31-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyOGVIXTLACOFXCC-UHFFFAOYSA-N
XLogP4.11
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-{2-[3-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}benzamide
CID 3241455
3,4-dimethoxy-N-{2-[3-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}benzamide
CID 3242489
4-ethoxy-N-{2-[3-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}benzamide
CID 3243197
2-methoxy-N-{2-[3-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}benzamide
CID 3244268
N-(2-(3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide
CID 3253165
2-(1-m-anisylindol-3-yl)sulfonyl-N-(5-methylisoxazol-3-yl)acetamide
CID 44129593
2-(1-(4-methoxybenzyl)-1H-indol-3-ylsulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 44129594
N-(2-{3-[({[(Furan-2-YL)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-YL}ethyl)-2-methoxybenzamide
CID 3244983
4-methyl-N-(2-(3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide
CID 4244757
2-Methoxy-N-[2-(3-{[(4-methylphenyl)methyl]sulfanyl}-1H-indol-1-YL)ethyl]benzamide
CID 4319282
N-{2-[3-({[(2-Fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-YL]ethyl}-2-methoxybenzamide
CID 4581652
2-methoxy-N-(2-(3-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide
CID 5084820

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 3241805) is 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21.
What is the InChIKey of 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is OGVIXTLACOFXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-16-13-22(27-32-16)26-23(29)15-33-21-14-28(19-9-5-3-7-17(19)21)12-11-25-24(30)18-8-4-6-10-20(18)31-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,30)(H,26,27,29).
What are the key properties of 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 464.55 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 3241805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).