N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide

C17H17BrN2O4S — CID 1314993

IUPACN-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1
InChIInChI=1S/C17H17BrN2O4S/c1-12(21)13-6-5-7-14(10-13)19-17(22)11-20(25(2,23)24)16-9-4-3-8-15(16)18/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyGQUHCKIMWIGRNI-UHFFFAOYSA-N
MW425.30 g/mol
LogP3.06
Rot. Bonds6

About N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide

N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide (PubChem CID 1314993) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
PubChem CID1314993
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC NameN-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1
InChIInChI=1S/C17H17BrN2O4S/c1-12(21)13-6-5-7-14(10-13)19-17(22)11-20(25(2,23)24)16-9-4-3-8-15(16)18/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyGQUHCKIMWIGRNI-UHFFFAOYSA-N
XLogP3.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249861
4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1142839
N-[3-[N-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-chlorobenzamide
CID 2893050
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
N-[3-[1-[2-[2-(2-bromo-N-methylsulfonylanilino)acetyl]hydrazinyl]ethenyl]phenyl]-3-chlorobenzamide
CID 2275284
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154134
2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 2893886

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide (CID 1314993) is N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide is CC(=O)c1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide?
The InChIKey is GQUHCKIMWIGRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c1-12(21)13-6-5-7-14(10-13)19-17(22)11-20(25(2,23)24)16-9-4-3-8-15(16)18/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide?
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide has a molecular weight of 425.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1314993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).