5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide

C24H23ClN4O5S — CID 35181786

IUPAC5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C24H23ClN4O5S/c1-3-35(31,32)24-26-13-21(22(28-24)23(30)27-17-9-8-16(2)20(25)12-17)29(14-18-6-4-10-33-18)15-19-7-5-11-34-19/h4-13H,3,14-15H2,1-2H3,(H,27,30)
InChIKeyRMWJWSYMGWMEKL-UHFFFAOYSA-N
MW514.99 g/mol
LogP4.88
Rot. Bonds9

About 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide

5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide (PubChem CID 35181786) has the molecular formula C24H23ClN4O5S and a molecular weight of 514.99 g/mol. Its IUPAC name is 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
PubChem CID35181786
Molecular FormulaC24H23ClN4O5S
Molecular Weight514.99 g/mol
Exact Mass514.11
IUPAC Name5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C24H23ClN4O5S/c1-3-35(31,32)24-26-13-21(22(28-24)23(30)27-17-9-8-16(2)20(25)12-17)29(14-18-6-4-10-33-18)15-19-7-5-11-34-19/h4-13H,3,14-15H2,1-2H3,(H,27,30)
InChIKeyRMWJWSYMGWMEKL-UHFFFAOYSA-N
XLogP4.88
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.99
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[bis(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 35181782
5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide
CID 17011839
5-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(2,4-dimethylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 43843417
N-(2,5-dimethylphenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidine-4-carboxamide
CID 35180355
2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 17011834
5-[bis(furan-2-ylmethyl)amino]-N-(3-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 17014721
5-[(3-ethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 17012395
N-(3-chloro-2-methylphenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide
CID 43843041
2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 35181662
N-(2-chlorophenyl)-5-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-methylsulfonylpyrimidine-4-carboxamide
CID 17011015
5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 17012512
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902

Frequently Asked Questions

What is the IUPAC name of 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide (CID 35181786) is 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
The InChIKey is RMWJWSYMGWMEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O5S/c1-3-35(31,32)24-26-13-21(22(28-24)23(30)27-17-9-8-16(2)20(25)12-17)29(14-18-6-4-10-33-18)15-19-7-5-11-34-19/h4-13H,3,14-15H2,1-2H3,(H,27,30).
What are the key properties of 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide has a molecular weight of 514.99 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(furan-2-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 35181786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).