(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate

C17H14N2O8S — CID 55643841

IUPAC(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESCC(=O)Nc1ccc2c(COC(=O)c3ccc(S(N)(=O)=O)o3)cc(=O)oc2c1
InChIInChI=1S/C17H14N2O8S/c1-9(20)19-11-2-3-12-10(6-15(21)26-14(12)7-11)8-25-17(22)13-4-5-16(27-13)28(18,23)24/h2-7H,8H2,1H3,(H,19,20)(H2,18,23,24)
InChIKeyUBICULPAZDXWOW-UHFFFAOYSA-N
MW406.37 g/mol
LogP1.35
Rot. Bonds5

About (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate

(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643841) has the molecular formula C17H14N2O8S and a molecular weight of 406.37 g/mol. Its IUPAC name is (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
PubChem CID55643841
Molecular FormulaC17H14N2O8S
Molecular Weight406.37 g/mol
Exact Mass406.05
IUPAC Name(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESCC(=O)Nc1ccc2c(COC(=O)c3ccc(S(N)(=O)=O)o3)cc(=O)oc2c1
InChIInChI=1S/C17H14N2O8S/c1-9(20)19-11-2-3-12-10(6-15(21)26-14(12)7-11)8-25-17(22)13-4-5-16(27-13)28(18,23)24/h2-7H,8H2,1H3,(H,19,20)(H2,18,23,24)
InChIKeyUBICULPAZDXWOW-UHFFFAOYSA-N
XLogP1.35
TPSA158.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(7-acetamido-2-oxochromen-4-yl)methyl 4-tert-butylbenzoate
CID 46790353
(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 18076997
(7-acetamido-2-oxochromen-4-yl)methyl 3,4-difluorobenzoate
CID 46816359
(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 16506936
(7-acetamido-2-oxochromen-4-yl)methyl 2-bromo-5-fluorobenzoate
CID 16565840
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-ethylbenzoate
CID 7775602
(7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 46789290
(7-acetamido-2-oxochromen-4-yl)methyl 1-benzylpyrazole-4-carboxylate
CID 16575866
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate
CID 7891680
(7-methyl-2-oxochromen-4-yl)methyl 3-acetamidobenzoate
CID 2582002
(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 55394614
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-acetamidophenyl)acetate
CID 8611432

Frequently Asked Questions

What is the IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate (CID 55643841) is (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate is CC(=O)Nc1ccc2c(COC(=O)c3ccc(S(N)(=O)=O)o3)cc(=O)oc2c1.
What is the InChIKey of (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The InChIKey is UBICULPAZDXWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O8S/c1-9(20)19-11-2-3-12-10(6-15(21)26-14(12)7-11)8-25-17(22)13-4-5-16(27-13)28(18,23)24/h2-7H,8H2,1H3,(H,19,20)(H2,18,23,24).
What are the key properties of (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate?
(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate has a molecular weight of 406.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).