N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide

C21H15NO3S — CID 18568685

IUPACN-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide
SMILESCc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cccs3)ccc2o1
InChIInChI=1S/C21H15NO3S/c1-13-5-2-3-6-15(13)19-12-17(23)16-11-14(8-9-18(16)25-19)22-21(24)20-7-4-10-26-20/h2-12H,1H3,(H,22,24)
InChIKeyLBDKSYKZAPJWRU-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.08
Rot. Bonds3

About N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide

N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide (PubChem CID 18568685) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide
PubChem CID18568685
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC NameN-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide
SMILESCc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cccs3)ccc2o1
InChIInChI=1S/C21H15NO3S/c1-13-5-2-3-6-15(13)19-12-17(23)16-11-14(8-9-18(16)25-19)22-21(24)20-7-4-10-26-20/h2-12H,1H3,(H,22,24)
InChIKeyLBDKSYKZAPJWRU-UHFFFAOYSA-N
XLogP5.08
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 676067
N-(3-(2-methoxybenzamido)phenyl)thiophene-2-carboxamide
CID 1072992
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
CID 1218554
N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 1293625
N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 2951458
N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3144227
2-Methoxy-N-[1-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzamide
CID 7498683
N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 12004904
N-(3-acetylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010472
N-(4-Methoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[B]thiophene-3-carboxamide
CID 16010560
N-(4-Methoxyphenyl)-2-methyl-N-[(thiophen-2-YL)methyl]benzamide
CID 16015905

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide (CID 18568685) is N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide is Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cccs3)ccc2o1.
What is the InChIKey of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide?
The InChIKey is LBDKSYKZAPJWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3S/c1-13-5-2-3-6-15(13)19-12-17(23)16-11-14(8-9-18(16)25-19)22-21(24)20-7-4-10-26-20/h2-12H,1H3,(H,22,24).
What are the key properties of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide?
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-4-oxochromen-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 18568685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).