N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

C24H17N3O3S — CID 19499067

IUPACN-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1nccc(-c2ccco2)n1)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C24H17N3O3S/c28-23(27-24-25-10-9-20(26-24)21-6-3-11-29-21)22-12-16(15-31-22)14-30-19-8-7-17-4-1-2-5-18(17)13-19/h1-13,15H,14H2,(H,25,26,27,28)
InChIKeyHEBCUJRDBZHASS-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.78
Rot. Bonds6

About N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19499067) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
PubChem CID19499067
Molecular FormulaC24H17N3O3S
Molecular Weight427.49 g/mol
Exact Mass427.10
IUPAC NameN-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1nccc(-c2ccco2)n1)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C24H17N3O3S/c28-23(27-24-25-10-9-20(26-24)21-6-3-11-29-21)22-12-16(15-31-22)14-30-19-8-7-17-4-1-2-5-18(17)13-19/h1-13,15H,14H2,(H,25,26,27,28)
InChIKeyHEBCUJRDBZHASS-UHFFFAOYSA-N
XLogP5.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)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

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499068
4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19498923
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499070
N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499069
furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone
CID 19498934
N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499079
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498924
N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498980
N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498978
N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498990
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499133
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (CID 19499067) is N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is O=C(Nc1nccc(-c2ccco2)n1)c1cc(COc2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The InChIKey is HEBCUJRDBZHASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c28-23(27-24-25-10-9-20(26-24)21-6-3-11-29-21)22-12-16(15-31-22)14-30-19-8-7-17-4-1-2-5-18(17)13-19/h1-13,15H,14H2,(H,25,26,27,28).
What are the key properties of N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19499067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).