N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide

C21H21NO6S — CID 4859439

IUPACN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)N(Cc3ccco3)C3CCS(=O)(=O)C3)cc(=O)c2c1
InChIInChI=1S/C21H21NO6S/c1-13-8-14(2)20-17(9-13)18(23)10-19(28-20)21(24)22(11-16-4-3-6-27-16)15-5-7-29(25,26)12-15/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3
InChIKeyPOGZCWYUUHMNTJ-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.83
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 4859439) has the molecular formula C21H21NO6S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID4859439
Molecular FormulaC21H21NO6S
Molecular Weight415.47 g/mol
Exact Mass415.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)N(Cc3ccco3)C3CCS(=O)(=O)C3)cc(=O)c2c1
InChIInChI=1S/C21H21NO6S/c1-13-8-14(2)20-17(9-13)18(23)10-19(28-20)21(24)22(11-16-4-3-6-27-16)15-5-7-29(25,26)12-15/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3
InChIKeyPOGZCWYUUHMNTJ-UHFFFAOYSA-N
XLogP2.83
TPSA97.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide with MolForge

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Related Compounds

N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 40870902
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-7-methyl-4-oxochromene-2-carboxamide
CID 666906
N-[(4-tert-butylphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 40871155
N-[(3S)-1,1-dioxothiolan-3-yl]-6,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide
CID 40870893
N-[(3S)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-N-[(4-methylphenyl)methyl]-4-oxochromene-2-carboxamide
CID 26818959
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 40775927
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7390201
N-[(3R)-1,1-dioxothiolan-3-yl]-3,5,7-trimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 42387579
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 26818832
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide (CID 4859439) is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide is Cc1cc(C)c2oc(C(=O)N(Cc3ccco3)C3CCS(=O)(=O)C3)cc(=O)c2c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is POGZCWYUUHMNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6S/c1-13-8-14(2)20-17(9-13)18(23)10-19(28-20)21(24)22(11-16-4-3-6-27-16)15-5-7-29(25,26)12-15/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4859439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).