2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide

C14H16N4O3S — CID 30862561

IUPAC2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2
InChIInChI=1S/C14H16N4O3S/c1-9(19)16-14-11-7-22-8-12(11)17-18(14)6-13(20)15-5-10-3-2-4-21-10/h2-4H,5-8H2,1H3,(H,15,20)(H,16,19)
InChIKeyIPJFXIZIPAAVAR-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.50
Rot. Bonds5

About 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide

2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 30862561) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID30862561
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2
InChIInChI=1S/C14H16N4O3S/c1-9(19)16-14-11-7-22-8-12(11)17-18(14)6-13(20)15-5-10-3-2-4-21-10/h2-4H,5-8H2,1H3,(H,15,20)(H,16,19)
InChIKeyIPJFXIZIPAAVAR-UHFFFAOYSA-N
XLogP1.50
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
CID 30862566
N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
CID 30862636
(Z)-3-(1,3-benzodioxol-5-yl)-N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
CID 30862580
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 30862717
N-benzyl-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
CID 30862680
N-(furan-2-ylmethyl)-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676321
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-nitrofuran-2-carboxamide
CID 30862709
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methoxybenzamide
CID 30862726
3,4-dimethyl-N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862163
N-(furan-2-ylmethyl)acetamide
CID 2394850
2,3-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862221
2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 82194265

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide (CID 30862561) is 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide is CC(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2.
What is the InChIKey of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IPJFXIZIPAAVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9(19)16-14-11-7-22-8-12(11)17-18(14)6-13(20)15-5-10-3-2-4-21-10/h2-4H,5-8H2,1H3,(H,15,20)(H,16,19).
What are the key properties of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 30862561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).