N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C20H25N5O3S — CID 47926915

IUPACN-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cn1
InChIInChI=1S/C20H25N5O3S/c1-4-24(5-2)8-9-25-13-15(12-21-25)22-20(27)18-14(3)11-17(29-18)23-19(26)16-7-6-10-28-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyHGEFEMISXJGICR-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.69
Rot. Bonds9

About N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 47926915) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID47926915
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cn1
InChIInChI=1S/C20H25N5O3S/c1-4-24(5-2)8-9-25-13-15(12-21-25)22-20(27)18-14(3)11-17(29-18)23-19(26)16-7-6-10-28-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyHGEFEMISXJGICR-UHFFFAOYSA-N
XLogP3.69
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31850637
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[5-[[4-(cyanomethyl)phenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35708139
N-[5-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25443607
N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55735619
N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55782529
N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 78855793
N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34112240
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55835401
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335

Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 47926915) is N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is CCN(CC)CCn1cc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cn1.
What is the InChIKey of N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is HGEFEMISXJGICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-4-24(5-2)8-9-25-13-15(12-21-25)22-20(27)18-14(3)11-17(29-18)23-19(26)16-7-6-10-28-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 47926915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).