7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide

C16H20N2O3S — CID 71580708

IUPAC7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)c2ccc(NC(C)=O)cc2S1
InChIInChI=1S/C16H20N2O3S/c1-4-18(5-2)16(21)15-9-13(20)12-7-6-11(17-10(3)19)8-14(12)22-15/h6-8,15H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyODHUKPAKJXIKDO-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.56
Rot. Bonds4

About 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide

7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide (PubChem CID 71580708) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide.

Molecular Properties

Compound Name7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide
PubChem CID71580708
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)c2ccc(NC(C)=O)cc2S1
InChIInChI=1S/C16H20N2O3S/c1-4-18(5-2)16(21)15-9-13(20)12-7-6-11(17-10(3)19)8-14(12)22-15/h6-8,15H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyODHUKPAKJXIKDO-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide?
The IUPAC name of 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide (CID 71580708) is 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide.
What is the SMILES notation for 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide?
The canonical SMILES for 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide is CCN(CC)C(=O)C1CC(=O)c2ccc(NC(C)=O)cc2S1.
What is the InChIKey of 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide?
The InChIKey is ODHUKPAKJXIKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-18(5-2)16(21)15-9-13(20)12-7-6-11(17-10(3)19)8-14(12)22-15/h6-8,15H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide?
7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-N,N-diethyl-4-oxo-2,3-dihydrothiochromene-2-carboxamide is sourced from PubChem (CID 71580708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).