2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide

C17H17BrN2O4S — CID 2962960

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1
InChIInChI=1S/C17H17BrN2O4S/c1-12(21)13-6-5-7-14(10-13)20(25(2,23)24)11-17(22)19-16-9-4-3-8-15(16)18/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRVDPCLOFTDEJQK-UHFFFAOYSA-N
MW425.30 g/mol
LogP3.06
Rot. Bonds6

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide (PubChem CID 2962960) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
PubChem CID2962960
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1
InChIInChI=1S/C17H17BrN2O4S/c1-12(21)13-6-5-7-14(10-13)20(25(2,23)24)11-17(22)19-16-9-4-3-8-15(16)18/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRVDPCLOFTDEJQK-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

Analyze 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 2224672
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113155566
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 5201560
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2970076
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2712117
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113155569
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2231397
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2973626
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
CID 3538765
N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 30169089
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide (CID 2962960) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide is CC(=O)c1cccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide?
The InChIKey is RVDPCLOFTDEJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c1-12(21)13-6-5-7-14(10-13)20(25(2,23)24)11-17(22)19-16-9-4-3-8-15(16)18/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)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 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 2962960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).