3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide

C20H20N4O4S — CID 59509072

IUPAC3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C20H20N4O4S/c1-13-8-9-14(10-16(13)24-29(3,26)27)20(25)23-19-11-17(21-12-22-19)15-6-4-5-7-18(15)28-2/h4-12,24H,1-3H3,(H,21,22,23,25)
InChIKeyVDRNYWRYYIDFSU-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.08
Rot. Bonds6

About 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide

3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide (PubChem CID 59509072) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide
PubChem CID59509072
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C20H20N4O4S/c1-13-8-9-14(10-16(13)24-29(3,26)27)20(25)23-19-11-17(21-12-22-19)15-6-4-5-7-18(15)28-2/h4-12,24H,1-3H3,(H,21,22,23,25)
InChIKeyVDRNYWRYYIDFSU-UHFFFAOYSA-N
XLogP3.08
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide (CID 59509072) is 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide is COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1.
What is the InChIKey of 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide?
The InChIKey is VDRNYWRYYIDFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-13-8-9-14(10-16(13)24-29(3,26)27)20(25)23-19-11-17(21-12-22-19)15-6-4-5-7-18(15)28-2/h4-12,24H,1-3H3,(H,21,22,23,25).
What are the key properties of 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide?
3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide has a molecular weight of 412.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 59509072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).