N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide

C20H28N4O2S2 — CID 1269501

IUPACN-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc2ccccc2nc1SCC(=O)NC(C)(C)C
InChIInChI=1S/C20H28N4O2S2/c1-19(2,3)23-15(25)11-27-17-18(28-12-16(26)24-20(4,5)6)22-14-10-8-7-9-13(14)21-17/h7-10H,11-12H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyMVKNRHNRCVFILR-UHFFFAOYSA-N
MW420.60 g/mol
LogP3.64
Rot. Bonds6

About N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide

N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide (PubChem CID 1269501) has the molecular formula C20H28N4O2S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide
PubChem CID1269501
Molecular FormulaC20H28N4O2S2
Molecular Weight420.60 g/mol
Exact Mass420.17
IUPAC NameN-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc2ccccc2nc1SCC(=O)NC(C)(C)C
InChIInChI=1S/C20H28N4O2S2/c1-19(2,3)23-15(25)11-27-17-18(28-12-16(26)24-20(4,5)6)22-14-10-8-7-9-13(14)21-17/h7-10H,11-12H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyMVKNRHNRCVFILR-UHFFFAOYSA-N
XLogP3.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide (CID 1269501) is N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide is CC(C)(C)NC(=O)CSc1nc2ccccc2nc1SCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide?
The InChIKey is MVKNRHNRCVFILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S2/c1-19(2,3)23-15(25)11-27-17-18(28-12-16(26)24-20(4,5)6)22-14-10-8-7-9-13(14)21-17/h7-10H,11-12H2,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide?
N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide has a molecular weight of 420.60 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 1269501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).