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

C23H22N4O3S — CID 3253165

IUPACN-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)no1
InChIInChI=1S/C23H22N4O3S/c1-16-13-21(26-30-16)25-22(28)15-31-20-14-27(19-10-6-5-9-18(19)20)12-11-24-23(29)17-7-3-2-4-8-17/h2-10,13-14H,11-12,15H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyGKVMLTINPUPYKT-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.10
Rot. Bonds8

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

N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 3253165) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
PubChem CID3253165
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)no1
InChIInChI=1S/C23H22N4O3S/c1-16-13-21(26-30-16)25-22(28)15-31-20-14-27(19-10-6-5-9-18(19)20)12-11-24-23(29)17-7-3-2-4-8-17/h2-10,13-14H,11-12,15H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyGKVMLTINPUPYKT-UHFFFAOYSA-N
XLogP4.10
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.10
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-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 3253165) is 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 N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)no1.
What is the InChIKey of N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is GKVMLTINPUPYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-16-13-21(26-30-16)25-22(28)15-31-20-14-27(19-10-6-5-9-18(19)20)12-11-24-23(29)17-7-3-2-4-8-17/h2-10,13-14H,11-12,15H2,1H3,(H,24,29)(H,25,26,28).
What are the key properties of N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 434.52 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 3253165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).