2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide

C21H24N2O4S — CID 112768160

IUPAC2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCCN(CC)C(=O)CSCC(=O)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C21H24N2O4S/c1-4-23(5-2)21(25)13-28-12-20(24)22-16-11-18-15(10-19(16)26-3)14-8-6-7-9-17(14)27-18/h6-11H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyCIMAOBMRIVRDCW-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.13
Rot. Bonds8

About 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide

2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 112768160) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID112768160
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCCN(CC)C(=O)CSCC(=O)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C21H24N2O4S/c1-4-23(5-2)21(25)13-28-12-20(24)22-16-11-18-15(10-19(16)26-3)14-8-6-7-9-17(14)27-18/h6-11H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyCIMAOBMRIVRDCW-UHFFFAOYSA-N
XLogP4.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 8818565
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112762838
N-(2-methoxydibenzofuran-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2684570
N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide
CID 42068388
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2489195
6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)hexanamide
CID 2219851

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 112768160) is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide is CCN(CC)C(=O)CSCC(=O)Nc1cc2oc3ccccc3c2cc1OC.
What is the InChIKey of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is CIMAOBMRIVRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-4-23(5-2)21(25)13-28-12-20(24)22-16-11-18-15(10-19(16)26-3)14-8-6-7-9-17(14)27-18/h6-11H,4-5,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 112768160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).