2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C18H21BrN2O3S — CID 22304436

IUPAC2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNc2cccc(Br)c2S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-12(2)13-7-9-14(10-8-13)21-17(22)11-20-16-6-4-5-15(19)18(16)25(3,23)24/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyCXMNMTTYECOFDR-UHFFFAOYSA-N
MW425.35 g/mol
LogP4.03
Rot. Bonds6

About 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 22304436) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID22304436
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNc2cccc(Br)c2S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-12(2)13-7-9-14(10-8-13)21-17(22)11-20-16-6-4-5-15(19)18(16)25(3,23)24/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyCXMNMTTYECOFDR-UHFFFAOYSA-N
XLogP4.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22307564
2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22304432
2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide
CID 22303972
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997204
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036840
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 22305356
N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55897440

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 22304436) is 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CNc2cccc(Br)c2S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is CXMNMTTYECOFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-12(2)13-7-9-14(10-8-13)21-17(22)11-20-16-6-4-5-15(19)18(16)25(3,23)24/h4-10,12,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 425.35 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 22304436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).