2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide

C19H23BrN2O3S — CID 44581140

IUPAC2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-4-21(5-2)19(23)14-22(17-10-6-15(3)7-11-17)26(24,25)18-12-8-16(20)9-13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyRTEVSGHQXDGFOD-UHFFFAOYSA-N
MW439.38 g/mol
LogP3.82
Rot. Bonds7

About 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide

2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide (PubChem CID 44581140) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
PubChem CID44581140
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-4-21(5-2)19(23)14-22(17-10-6-15(3)7-11-17)26(24,25)18-12-8-16(20)9-13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyRTEVSGHQXDGFOD-UHFFFAOYSA-N
XLogP3.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 1365184
4-{3-[(4-Bromophenyl)sulfonyl]propanoyl}-2-methyl-1-(3-methylphenyl)piperazine
CID 4293414
2-[(4-tert-Butyl-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 10409682
N,N-Diethyl-2-[(4-ethyl-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 10475401
N,N-Diethyl-2-[(3-fluoro-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 44580809
N,N-Diethyl-2-[(toluene-2-sulfonyl)-p-tolyl-amino]-acetamide
CID 44581169
N,N-Diethyl-2-[(toluene-3-sulfonyl)-p-tolyl-amino]-acetamide
CID 44581172
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-benzenesulfonamide
CID 648839
4-bromo-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}benzenesulfonamide
CID 1006492
4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1122678

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide (CID 44581140) is 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The InChIKey is RTEVSGHQXDGFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-4-21(5-2)19(23)14-22(17-10-6-15(3)7-11-17)26(24,25)18-12-8-16(20)9-13-18/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide has a molecular weight of 439.38 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide is sourced from PubChem (CID 44581140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).