N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide

C25H17NO3S — CID 7693008

IUPACN-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide
SMILESCc1cccc2c(=O)c(-c3cccc4ccccc34)c(NC(=O)c3cccs3)oc12
InChIInChI=1S/C25H17NO3S/c1-15-7-4-12-19-22(27)21(18-11-5-9-16-8-2-3-10-17(16)18)25(29-23(15)19)26-24(28)20-13-6-14-30-20/h2-14H,1H3,(H,26,28)
InChIKeyRLXKXOUSPSOCPH-UHFFFAOYSA-N
MW411.48 g/mol
LogP6.24
Rot. Bonds3

About N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide

N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide (PubChem CID 7693008) has the molecular formula C25H17NO3S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide
PubChem CID7693008
Molecular FormulaC25H17NO3S
Molecular Weight411.48 g/mol
Exact Mass411.09
IUPAC NameN-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide
SMILESCc1cccc2c(=O)c(-c3cccc4ccccc34)c(NC(=O)c3cccs3)oc12
InChIInChI=1S/C25H17NO3S/c1-15-7-4-12-19-22(27)21(18-11-5-9-16-8-2-3-10-17(16)18)25(29-23(15)19)26-24(28)20-13-6-14-30-20/h2-14H,1H3,(H,26,28)
InChIKeyRLXKXOUSPSOCPH-UHFFFAOYSA-N
XLogP6.24
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide (CID 7693008) is N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide is Cc1cccc2c(=O)c(-c3cccc4ccccc34)c(NC(=O)c3cccs3)oc12.
What is the InChIKey of N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide?
The InChIKey is RLXKXOUSPSOCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO3S/c1-15-7-4-12-19-22(27)21(18-11-5-9-16-8-2-3-10-17(16)18)25(29-23(15)19)26-24(28)20-13-6-14-30-20/h2-14H,1H3,(H,26,28).
What are the key properties of N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide?
N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7693008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).