N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C20H16N4O3S — CID 43063178

IUPACN-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C20H16N4O3S/c1-12-10-17(23-19(25)16-6-3-9-27-16)28-18(12)20(26)22-14-5-2-4-13(11-14)15-7-8-21-24-15/h2-11H,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyIKYHUMAOSJNTCB-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.54
Rot. Bonds5

About N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 43063178) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID43063178
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C20H16N4O3S/c1-12-10-17(23-19(25)16-6-3-9-27-16)28-18(12)20(26)22-14-5-2-4-13(11-14)15-7-8-21-24-15/h2-11H,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyIKYHUMAOSJNTCB-UHFFFAOYSA-N
XLogP4.54
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-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-(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-5-yl)furan-2-carboxamide
CID 44440250
N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide
CID 2110833
N-benzyl-N-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methyl}-2-furamide
CID 1289335
N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide
CID 23589919
N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide
CID 23589928
N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2-carboxamide
CID 59797208
2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide
CID 60034750
5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
CID 60034996
2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide
CID 60035147
N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]furan-2-carboxamide
CID 72564535
2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide
CID 72628121
5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
CID 72628276

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 43063178) is N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is IKYHUMAOSJNTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-12-10-17(23-19(25)16-6-3-9-27-16)28-18(12)20(26)22-14-5-2-4-13(11-14)15-7-8-21-24-15/h2-11H,1H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 43063178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).