N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide

C21H23NO6S — CID 51955244

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)C=C(C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)CO2
InChIInChI=1S/C21H23NO6S/c1-2-26-18-5-6-20-15(11-18)10-16(13-28-20)21(23)22(12-19-4-3-8-27-19)17-7-9-29(24,25)14-17/h3-6,8,10-11,17H,2,7,9,12-14H2,1H3/t17-/m1/s1
InChIKeyLRTKAWOHQFIHNK-QGZVFWFLSA-N
MW417.48 g/mol
LogP2.67
Rot. Bonds6

About N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide (PubChem CID 51955244) has the molecular formula C21H23NO6S and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide
PubChem CID51955244
Molecular FormulaC21H23NO6S
Molecular Weight417.48 g/mol
Exact Mass417.12
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)C=C(C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)CO2
InChIInChI=1S/C21H23NO6S/c1-2-26-18-5-6-20-15(11-18)10-16(13-28-20)21(23)22(12-19-4-3-8-27-19)17-7-9-29(24,25)14-17/h3-6,8,10-11,17H,2,7,9,12-14H2,1H3/t17-/m1/s1
InChIKeyLRTKAWOHQFIHNK-QGZVFWFLSA-N
XLogP2.67
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide with MolForge

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Related Compounds

6-ethoxy-N-(furan-2-ylmethyl)-N-methyl-2H-chromene-3-carboxamide
CID 53498513
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 40953097
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 8683014
N-[(3S)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 7379163
2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 35122106
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 40643210
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 9380986
3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 8501498
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 7393664

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide (CID 51955244) is N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide is CCOc1ccc2c(c1)C=C(C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)CO2.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide?
The InChIKey is LRTKAWOHQFIHNK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23NO6S/c1-2-26-18-5-6-20-15(11-18)10-16(13-28-20)21(23)22(12-19-4-3-8-27-19)17-7-9-29(24,25)14-17/h3-6,8,10-11,17H,2,7,9,12-14H2,1H3/t17-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-N-(furan-2-ylmethyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 51955244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).