2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

C25H24N4O4S — CID 122309037

IUPAC2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(Oc3cc(-n4cccc4)ncn3)cc2)cc1
InChIInChI=1S/C25H24N4O4S/c1-18(2)34(31,32)22-11-5-19(6-12-22)15-24(30)28-20-7-9-21(10-8-20)33-25-16-23(26-17-27-25)29-13-3-4-14-29/h3-14,16-18H,15H2,1-2H3,(H,28,30)
InChIKeyVQIYJMYXLKZSCG-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.42
Rot. Bonds8

About 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 122309037) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID122309037
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(Oc3cc(-n4cccc4)ncn3)cc2)cc1
InChIInChI=1S/C25H24N4O4S/c1-18(2)34(31,32)22-11-5-19(6-12-22)15-24(30)28-20-7-9-21(10-8-20)33-25-16-23(26-17-27-25)29-13-3-4-14-29/h3-14,16-18H,15H2,1-2H3,(H,28,30)
InChIKeyVQIYJMYXLKZSCG-UHFFFAOYSA-N
XLogP4.42
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122311682
2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309055
2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309067
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122306723
4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122308856
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122305211
2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid
CID 120537294
N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
CID 122308945
4-acetyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309101
2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309011
2,2-diphenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122308873
2-(4-propan-2-ylsulfonylphenyl)-1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122341998

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (CID 122309037) is 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(Oc3cc(-n4cccc4)ncn3)cc2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is VQIYJMYXLKZSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-18(2)34(31,32)22-11-5-19(6-12-22)15-24(30)28-20-7-9-21(10-8-20)33-25-16-23(26-17-27-25)29-13-3-4-14-29/h3-14,16-18H,15H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 476.56 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 122309037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).