N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C24H23FN4O3S — CID 55953216

IUPACN-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C24H23FN4O3S/c1-15-12-21(26-23(30)20-9-5-11-32-20)33-22(15)24(31)29(2)10-4-8-18-14-19(28-27-18)16-6-3-7-17(25)13-16/h3,5-7,9,11-14H,4,8,10H2,1-2H3,(H,26,30)(H,27,28)
InChIKeySEKPBSQAENJQHJ-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.14
Rot. Bonds8

About N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 55953216) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID55953216
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC NameN-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C24H23FN4O3S/c1-15-12-21(26-23(30)20-9-5-11-32-20)33-22(15)24(31)29(2)10-4-8-18-14-19(28-27-18)16-6-3-7-17(25)13-16/h3,5-7,9,11-14H,4,8,10H2,1-2H3,(H,26,30)(H,27,28)
InChIKeySEKPBSQAENJQHJ-UHFFFAOYSA-N
XLogP5.14
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 55953216) is N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1.
What is the InChIKey of N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is SEKPBSQAENJQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-15-12-21(26-23(30)20-9-5-11-32-20)33-22(15)24(31)29(2)10-4-8-18-14-19(28-27-18)16-6-3-7-17(25)13-16/h3,5-7,9,11-14H,4,8,10H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55953216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).