N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide

C18H22N2O5S — CID 167952164

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide
SMILESCCN(C(=O)C(C)Nc1ccc2occc(=O)c2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N2O5S/c1-3-20(14-7-9-26(23,24)11-14)18(22)12(2)19-13-4-5-17-15(10-13)16(21)6-8-25-17/h4-6,8,10,12,14,19H,3,7,9,11H2,1-2H3
InChIKeyHAIVZMHATZHEJD-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.63
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide (PubChem CID 167952164) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide
PubChem CID167952164
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide
SMILESCCN(C(=O)C(C)Nc1ccc2occc(=O)c2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N2O5S/c1-3-20(14-7-9-26(23,24)11-14)18(22)12(2)19-13-4-5-17-15(10-13)16(21)6-8-25-17/h4-6,8,10,12,14,19H,3,7,9,11H2,1-2H3
InChIKeyHAIVZMHATZHEJD-UHFFFAOYSA-N
XLogP1.63
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide
CID 40820368
[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384465
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
2-(1,3-benzodioxol-5-ylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 167811081
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 42938143
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 46625828
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(3-methyl-1-benzofuran-5-yl)acetamide
CID 124848485
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbutanediamide
CID 60939371
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 55424566
2-(3-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 106591044
[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8664685
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-fluorophenyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide (CID 167952164) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide is CCN(C(=O)C(C)Nc1ccc2occc(=O)c2c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide?
The InChIKey is HAIVZMHATZHEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-20(14-7-9-26(23,24)11-14)18(22)12(2)19-13-4-5-17-15(10-13)16(21)6-8-25-17/h4-6,8,10,12,14,19H,3,7,9,11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide has a molecular weight of 378.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide is sourced from PubChem (CID 167952164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).