5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide

C23H22N4O5S — CID 17011839

IUPAC5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C23H22N4O5S/c1-2-33(29,30)23-24-14-20(21(26-23)22(28)25-17-8-4-3-5-9-17)27(15-18-10-6-12-31-18)16-19-11-7-13-32-19/h3-14H,2,15-16H2,1H3,(H,25,28)
InChIKeyUZFDZIFFORWSCW-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.92
Rot. Bonds9

About 5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide

5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 17011839) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is 5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide
PubChem CID17011839
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC Name5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C23H22N4O5S/c1-2-33(29,30)23-24-14-20(21(26-23)22(28)25-17-8-4-3-5-9-17)27(15-18-10-6-12-31-18)16-19-11-7-13-32-19/h3-14H,2,15-16H2,1H3,(H,25,28)
InChIKeyUZFDZIFFORWSCW-UHFFFAOYSA-N
XLogP3.92
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.92
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]-N-(3-chloro-4-methylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 35181786
2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 17011834
2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 35181662
5-[(3-ethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 17012395
5-[bis(furan-2-ylmethyl)amino]-N-(3-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 17014721
N-(2,5-dimethylphenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidine-4-carboxamide
CID 35180355
5-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(2,4-dimethylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 43843417
N-(3-chloro-2-methylphenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide
CID 43843041
5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 17012512
N-(2-chlorophenyl)-5-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-methylsulfonylpyrimidine-4-carboxamide
CID 17011015
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]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide (CID 17011839) is 5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is UZFDZIFFORWSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-2-33(29,30)23-24-14-20(21(26-23)22(28)25-17-8-4-3-5-9-17)27(15-18-10-6-12-31-18)16-19-11-7-13-32-19/h3-14H,2,15-16H2,1H3,(H,25,28).
What are the key properties of 5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide?
5-[bis(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 3.92, 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]-2-ethylsulfonyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 17011839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).