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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide
CID 7693156
N-[3-(4-methylphenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4870395
4-methoxy-N-(3-naphthalen-1-yl-4-oxochromen-2-yl)benzamide
CID 4971299
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4975081
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505
4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
CID 7463129
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 9324132
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide
CID 2279444
N-[3-(4-methoxyphenyl)-8-methyl-4-oxochromen-2-yl]-3-nitrobenzamide
CID 16957094
ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
CID 108733797

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).