2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide

C18H14F2N4O3S2 — CID 16832902

IUPAC2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2cc(F)ccc2F)ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14F2N4O3S2/c19-11-6-7-13(20)14(8-11)23-16(25)10-28-18-22-9-15(17(21)24-18)29(26,27)12-4-2-1-3-5-12/h1-9H,10H2,(H,23,25)(H2,21,22,24)
InChIKeyRMXAYLNBNFSDRG-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.90
Rot. Bonds6

About 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide

2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide (PubChem CID 16832902) has the molecular formula C18H14F2N4O3S2 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide
PubChem CID16832902
Molecular FormulaC18H14F2N4O3S2
Molecular Weight436.47 g/mol
Exact Mass436.05
IUPAC Name2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2cc(F)ccc2F)ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14F2N4O3S2/c19-11-6-7-13(20)14(8-11)23-16(25)10-28-18-22-9-15(17(21)24-18)29(26,27)12-4-2-1-3-5-12/h1-9H,10H2,(H,23,25)(H2,21,22,24)
InChIKeyRMXAYLNBNFSDRG-UHFFFAOYSA-N
XLogP2.90
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 16832910
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 16832896
2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18590439
2-[4-amino-5-(5-bromothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 50769821
2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 16832924
2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 16832944
N-(2,5-difluorophenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288806
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
N-(2,5-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7556313
N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide
CID 5142642
2-(6-benzyl-9-chloro-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 46336291
2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 20910523

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide (CID 16832902) is 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide is Nc1nc(SCC(=O)Nc2cc(F)ccc2F)ncc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide?
The InChIKey is RMXAYLNBNFSDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3S2/c19-11-6-7-13(20)14(8-11)23-16(25)10-28-18-22-9-15(17(21)24-18)29(26,27)12-4-2-1-3-5-12/h1-9H,10H2,(H,23,25)(H2,21,22,24).
What are the key properties of 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide?
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide has a molecular weight of 436.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 16832902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).