2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide

C24H24N4O4S2 — CID 35181662

IUPAC2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccs2)c(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C24H24N4O4S2/c1-3-34(30,31)24-25-14-21(22(27-24)23(29)26-20-11-5-4-8-17(20)2)28(15-18-9-6-12-32-18)16-19-10-7-13-33-19/h4-14H,3,15-16H2,1-2H3,(H,26,29)
InChIKeyJGEYINCAQZOEMG-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.69
Rot. Bonds9

About 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide

2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 35181662) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID35181662
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC Name2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccs2)c(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C24H24N4O4S2/c1-3-34(30,31)24-25-14-21(22(27-24)23(29)26-20-11-5-4-8-17(20)2)28(15-18-9-6-12-32-18)16-19-10-7-13-33-19/h4-14H,3,15-16H2,1-2H3,(H,26,29)
InChIKeyJGEYINCAQZOEMG-UHFFFAOYSA-N
XLogP4.69
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 35181662) is 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccs2)c(C(=O)Nc2ccccc2C)n1.
What is the InChIKey of 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is JGEYINCAQZOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-3-34(30,31)24-25-14-21(22(27-24)23(29)26-20-11-5-4-8-17(20)2)28(15-18-9-6-12-32-18)16-19-10-7-13-33-19/h4-14H,3,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 35181662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).