2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide

C19H23BrN2O3S — CID 133184692

IUPAC2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-4-15-5-7-16(8-6-15)14(2)21-19(23)13-22(26(3,24)25)18-11-9-17(20)10-12-18/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyFXILHVMXKCASQF-UHFFFAOYSA-N
MW439.38 g/mol
LogP3.65
Rot. Bonds7

About 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide

2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 133184692) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
PubChem CID133184692
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-4-15-5-7-16(8-6-15)14(2)21-19(23)13-22(26(3,24)25)18-11-9-17(20)10-12-18/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyFXILHVMXKCASQF-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 100547113
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133163045
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125048959
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166559
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 40899188
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895541

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide (CID 133184692) is 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(C(C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is FXILHVMXKCASQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-4-15-5-7-16(8-6-15)14(2)21-19(23)13-22(26(3,24)25)18-11-9-17(20)10-12-18/h5-12,14H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 439.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 133184692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).