N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide

C16H16N6O3S — CID 150030312

IUPACN-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2nccc(Nc3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C16H16N6O3S/c1-10-9-15(22-21-10)19-14-7-8-17-16(20-14)26(24,25)13-5-3-12(4-6-13)18-11(2)23/h3-9H,1-2H3,(H,18,23)(H2,17,19,20,21,22)
InChIKeyDHCNTJYYFVLWEM-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.04
Rot. Bonds5

About N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide

N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide (PubChem CID 150030312) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide
PubChem CID150030312
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2nccc(Nc3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C16H16N6O3S/c1-10-9-15(22-21-10)19-14-7-8-17-16(20-14)26(24,25)13-5-3-12(4-6-13)18-11(2)23/h3-9H,1-2H3,(H,18,23)(H2,17,19,20,21,22)
InChIKeyDHCNTJYYFVLWEM-UHFFFAOYSA-N
XLogP2.04
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfonylphenyl]acetamide
CID 152625599
N-[4-[4-(hydroxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]propanamide
CID 150917194
N-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-8-yl]sulfanylphenyl]acetamide
CID 59299127
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine
CID 90161199
N-[4-[4-(4-hydroxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide
CID 135752524
N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide
CID 110096941
N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
CID 63820246
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 166810256
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]acetamide
CID 10200408
N-[4-[4-(4-ethoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide
CID 18765144
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide (CID 150030312) is N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)c2nccc(Nc3cc(C)[nH]n3)n2)cc1.
What is the InChIKey of N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide?
The InChIKey is DHCNTJYYFVLWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-10-9-15(22-21-10)19-14-7-8-17-16(20-14)26(24,25)13-5-3-12(4-6-13)18-11(2)23/h3-9H,1-2H3,(H,18,23)(H2,17,19,20,21,22).
What are the key properties of N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide has a molecular weight of 372.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 150030312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).