N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide

C17H18N4O3S — CID 1251125

IUPACN-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCc1cc(NC(=O)Cc2cccs2)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C17H18N4O3S/c1-12-8-15(19-16(22)9-14-5-3-7-25-14)20-21(12)11-17(23)18-10-13-4-2-6-24-13/h2-8H,9-11H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyBEXVXJDFZUJJGH-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.34
Rot. Bonds7

About N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide

N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 1251125) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide
PubChem CID1251125
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCc1cc(NC(=O)Cc2cccs2)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C17H18N4O3S/c1-12-8-15(19-16(22)9-14-5-3-7-25-14)20-21(12)11-17(23)18-10-13-4-2-6-24-13/h2-8H,9-11H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyBEXVXJDFZUJJGH-UHFFFAOYSA-N
XLogP2.34
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide (CID 1251125) is N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide is Cc1cc(NC(=O)Cc2cccs2)nn1CC(=O)NCc1ccco1.
What is the InChIKey of N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is BEXVXJDFZUJJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-12-8-15(19-16(22)9-14-5-3-7-25-14)20-21(12)11-17(23)18-10-13-4-2-6-24-13/h2-8H,9-11H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide?
N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 358.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1251125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).