N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C20H24N4O5S — CID 5307236

IUPACN-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H24N4O5S/c1-14-20(15(2)23(3)22-14)30(26,27)24(16-7-9-17(28-4)10-8-16)13-19(25)21-12-18-6-5-11-29-18/h5-11H,12-13H2,1-4H3,(H,21,25)
InChIKeyQJHBSOWKMXVKIX-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.15
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 5307236) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID5307236
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H24N4O5S/c1-14-20(15(2)23(3)22-14)30(26,27)24(16-7-9-17(28-4)10-8-16)13-19(25)21-12-18-6-5-11-29-18/h5-11H,12-13H2,1-4H3,(H,21,25)
InChIKeyQJHBSOWKMXVKIX-UHFFFAOYSA-N
XLogP2.15
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 5307236) is N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is QJHBSOWKMXVKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-14-20(15(2)23(3)22-14)30(26,27)24(16-7-9-17(28-4)10-8-16)13-19(25)21-12-18-6-5-11-29-18/h5-11H,12-13H2,1-4H3,(H,21,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 432.50 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 5307236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).