N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

C22H25FN6O5S2 — CID 99950848

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C22H25FN6O5S2/c1-15-13-16(2)25-22(24-15)27-35(31,32)20-11-7-18(8-12-20)26-21(30)14-29(36(33,34)28(3)4)19-9-5-17(23)6-10-19/h5-13H,14H2,1-4H3,(H,26,30)(H,24,25,27)
InChIKeyARGZHBJAQHRCKC-UHFFFAOYSA-N
MW536.61 g/mol
LogP2.28
Rot. Bonds9

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (PubChem CID 99950848) has the molecular formula C22H25FN6O5S2 and a molecular weight of 536.61 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
PubChem CID99950848
Molecular FormulaC22H25FN6O5S2
Molecular Weight536.61 g/mol
Exact Mass536.13
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C22H25FN6O5S2/c1-15-13-16(2)25-22(24-15)27-35(31,32)20-11-7-18(8-12-20)26-21(30)14-29(36(33,34)28(3)4)19-9-5-17(23)6-10-19/h5-13H,14H2,1-4H3,(H,26,30)(H,24,25,27)
InChIKeyARGZHBJAQHRCKC-UHFFFAOYSA-N
XLogP2.28
TPSA141.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 18891040
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891046
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 18891044
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891039
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891028
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291
N-(3,4-difluorophenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283271
ethyl 4-[[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]benzoate
CID 92663958
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 5140498
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43880133
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43882365

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (CID 99950848) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The InChIKey is ARGZHBJAQHRCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O5S2/c1-15-13-16(2)25-22(24-15)27-35(31,32)20-11-7-18(8-12-20)26-21(30)14-29(36(33,34)28(3)4)19-9-5-17(23)6-10-19/h5-13H,14H2,1-4H3,(H,26,30)(H,24,25,27).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide has a molecular weight of 536.61 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is sourced from PubChem (CID 99950848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).