N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide

C19H21F2N3O4S — CID 169492861

IUPACN-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)cc(C(F)F)c2)c1
InChIInChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMYNNHYIXRANCAX-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.15
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide

N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide (PubChem CID 169492861) has the molecular formula C19H21F2N3O4S and a molecular weight of 425.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide
PubChem CID169492861
Molecular FormulaC19H21F2N3O4S
Molecular Weight425.46 g/mol
Exact Mass425.12
IUPAC NameN-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)cc(C(F)F)c2)c1
InChIInChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMYNNHYIXRANCAX-UHFFFAOYSA-N
XLogP3.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 26942310
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 34055693
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 26102306
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide (CID 169492861) is N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide is CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)cc(C(F)F)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide?
The InChIKey is MYNNHYIXRANCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide?
N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide has a molecular weight of 425.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide is sourced from PubChem (CID 169492861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).