2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide

C19H18N4O3S — CID 59588031

IUPAC2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(CC(N)=O)cc3)n2)cc1
InChIInChI=1S/C19H18N4O3S/c1-27(25,26)16-8-4-14(5-9-16)17-10-11-21-19(23-17)22-15-6-2-13(3-7-15)12-18(20)24/h2-11H,12H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyLHLZVRPTJARCIE-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.32
Rot. Bonds6

About 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide

2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 59588031) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID59588031
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(CC(N)=O)cc3)n2)cc1
InChIInChI=1S/C19H18N4O3S/c1-27(25,26)16-8-4-14(5-9-16)17-10-11-21-19(23-17)22-15-6-2-13(3-7-15)12-18(20)24/h2-11H,12H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyLHLZVRPTJARCIE-UHFFFAOYSA-N
XLogP2.32
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide (CID 59588031) is 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide is CS(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(CC(N)=O)cc3)n2)cc1.
What is the InChIKey of 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is LHLZVRPTJARCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-27(25,26)16-8-4-14(5-9-16)17-10-11-21-19(23-17)22-15-6-2-13(3-7-15)12-18(20)24/h2-11H,12H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide?
2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 59588031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).