N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide

C16H17NO5S — CID 40643679

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1
InChIInChI=1S/C16H17NO5S/c1-2-10-3-4-14-12(7-10)13(18)8-15(22-14)16(19)17-11-5-6-23(20,21)9-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyMPXLMDDFCYUNQS-LLVKDONJSA-N
MW335.38 g/mol
LogP1.27
Rot. Bonds3

About N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide (PubChem CID 40643679) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide
PubChem CID40643679
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1
InChIInChI=1S/C16H17NO5S/c1-2-10-3-4-14-12(7-10)13(18)8-15(22-14)16(19)17-11-5-6-23(20,21)9-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyMPXLMDDFCYUNQS-LLVKDONJSA-N
XLogP1.27
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384383
5-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821087
6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-oxochromene-2-carboxamide
CID 40851076
[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384465
5-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 82108858
5-bromo-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 44841757
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 17398664
N-[[4-(diethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605558
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 94822687
N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773979
N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide
CID 146125648
6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methylphenyl)methyl]-4-oxochromene-2-carboxamide
CID 40871452

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide (CID 40643679) is N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide is CCc1ccc2oc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide?
The InChIKey is MPXLMDDFCYUNQS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-2-10-3-4-14-12(7-10)13(18)8-15(22-14)16(19)17-11-5-6-23(20,21)9-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 40643679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).