N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide

C15H10N2O4S — CID 6710576

IUPACN-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H10N2O4S/c16-13(19)9-5-6-22-15(9)17-14(20)12-7-10(18)8-3-1-2-4-11(8)21-12/h1-7H,(H2,16,19)(H,17,20)
InChIKeyCAPHGJRHWJXXBC-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.21
Rot. Bonds3

About N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide

N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 6710576) has the molecular formula C15H10N2O4S and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide
PubChem CID6710576
Molecular FormulaC15H10N2O4S
Molecular Weight314.32 g/mol
Exact Mass314.04
IUPAC NameN-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H10N2O4S/c16-13(19)9-5-6-22-15(9)17-14(20)12-7-10(18)8-3-1-2-4-11(8)21-12/h1-7H,(H2,16,19)(H,17,20)
InChIKeyCAPHGJRHWJXXBC-UHFFFAOYSA-N
XLogP2.21
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide (CID 6710576) is N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide is NC(=O)c1ccsc1NC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is CAPHGJRHWJXXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4S/c16-13(19)9-5-6-22-15(9)17-14(20)12-7-10(18)8-3-1-2-4-11(8)21-12/h1-7H,(H2,16,19)(H,17,20).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide?
N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 6710576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).