2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide

C19H22BrNO4S — CID 86880687

IUPAC2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C19H22BrNO4S/c1-5-25-17-11-8-15(12-13(17)2)21-18(22)19(3,4)26(23,24)16-9-6-14(20)7-10-16/h6-12H,5H2,1-4H3,(H,21,22)
InChIKeyHIXMBLIWVQAEOO-UHFFFAOYSA-N
MW440.36 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide

2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide (PubChem CID 86880687) has the molecular formula C19H22BrNO4S and a molecular weight of 440.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
PubChem CID86880687
Molecular FormulaC19H22BrNO4S
Molecular Weight440.36 g/mol
Exact Mass439.05
IUPAC Name2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C19H22BrNO4S/c1-5-25-17-11-8-15(12-13(17)2)21-18(22)19(3,4)26(23,24)16-9-6-14(20)7-10-16/h6-12H,5H2,1-4H3,(H,21,22)
InChIKeyHIXMBLIWVQAEOO-UHFFFAOYSA-N
XLogP4.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 47416651
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
CID 9080322
N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 86954121
(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
CID 86950140
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide (CID 86880687) is 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide is CCOc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1C.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide?
The InChIKey is HIXMBLIWVQAEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4S/c1-5-25-17-11-8-15(12-13(17)2)21-18(22)19(3,4)26(23,24)16-9-6-14(20)7-10-16/h6-12H,5H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide?
2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide has a molecular weight of 440.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 86880687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).