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

C15H18N4O4S — CID 30862566

IUPACN-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
SMILESCOCC(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2
InChIInChI=1S/C15H18N4O4S/c1-22-7-14(21)17-15-11-8-24-9-12(11)18-19(15)6-13(20)16-5-10-3-2-4-23-10/h2-4H,5-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyONMLDNUSAICXKA-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.12
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide (PubChem CID 30862566) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
PubChem CID30862566
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
SMILESCOCC(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2
InChIInChI=1S/C15H18N4O4S/c1-22-7-14(21)17-15-11-8-24-9-12(11)18-19(15)6-13(20)16-5-10-3-2-4-23-10/h2-4H,5-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyONMLDNUSAICXKA-UHFFFAOYSA-N
XLogP1.12
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30862561
N-benzyl-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
CID 30862680
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-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
CID 30862330
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 30862717
N-(furan-2-ylmethyl)-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676321
2,3-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862221
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methoxybenzamide
CID 30862726
3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862305
2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 82194265
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 30862682

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide (CID 30862566) is N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide is COCC(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide?
The InChIKey is ONMLDNUSAICXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-22-7-14(21)17-15-11-8-24-9-12(11)18-19(15)6-13(20)16-5-10-3-2-4-23-10/h2-4H,5-9H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide has a molecular weight of 350.40 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide is sourced from PubChem (CID 30862566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).