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

C18H20N4O3S — CID 55735619

IUPACN-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCC(C)Cn1cccn1
InChIInChI=1S/C18H20N4O3S/c1-12(11-22-7-4-6-20-22)10-19-18(24)16-13(2)9-15(26-16)21-17(23)14-5-3-8-25-14/h3-9,12H,10-11H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyHSNKVPZYMJZTPT-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.16
Rot. Bonds7

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

N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55735619) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55735619
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCC(C)Cn1cccn1
InChIInChI=1S/C18H20N4O3S/c1-12(11-22-7-4-6-20-22)10-19-18(24)16-13(2)9-15(26-16)21-17(23)14-5-3-8-25-14/h3-9,12H,10-11H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyHSNKVPZYMJZTPT-UHFFFAOYSA-N
XLogP3.16
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55588228
N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46522510
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47926915
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47864283
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34942302
N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51953847
N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35049364

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55735619) is N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCC(C)Cn1cccn1.
What is the InChIKey of N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is HSNKVPZYMJZTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12(11-22-7-4-6-20-22)10-19-18(24)16-13(2)9-15(26-16)21-17(23)14-5-3-8-25-14/h3-9,12H,10-11H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55735619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).