N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide

C22H15NO4S — CID 90612940

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)c2ccccc2)s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C22H15NO4S/c24-17-12-19(27-18-9-5-4-8-16(17)18)22(26)23-13-15-10-11-20(28-15)21(25)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,26)
InChIKeyJDQWMFUVMNGNHD-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.02
Rot. Bonds5

About N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide

N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide (PubChem CID 90612940) has the molecular formula C22H15NO4S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
PubChem CID90612940
Molecular FormulaC22H15NO4S
Molecular Weight389.43 g/mol
Exact Mass389.07
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)c2ccccc2)s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C22H15NO4S/c24-17-12-19(27-18-9-5-4-8-16(17)18)22(26)23-13-15-10-11-20(28-15)21(25)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,26)
InChIKeyJDQWMFUVMNGNHD-UHFFFAOYSA-N
XLogP4.02
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide
CID 121133440
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
CID 90612882
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide
CID 16867578
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide
CID 17489399
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 90612901
N-[(5-benzoylthiophen-2-yl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90612947
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
N-butyl-4-oxochromene-2-carboxamide
CID 11253603

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide (CID 90612940) is N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide is O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide?
The InChIKey is JDQWMFUVMNGNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO4S/c24-17-12-19(27-18-9-5-4-8-16(17)18)22(26)23-13-15-10-11-20(28-15)21(25)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,26).
What are the key properties of N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide?
N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 90612940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).