N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C19H24N2O4S — CID 998401

IUPACN-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-5-25-18-9-7-6-8-17(18)21(26(4,23)24)13-19(22)20-16-12-14(2)10-11-15(16)3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyNGYIQNUXAUBBMQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.11
Rot. Bonds7

About N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 998401) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID998401
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-5-25-18-9-7-6-8-17(18)21(26(4,23)24)13-19(22)20-16-12-14(2)10-11-15(16)3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyNGYIQNUXAUBBMQ-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173765
2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 982515
N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287447
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 1344293
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 126258649
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 1311422
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126034078
N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30258326

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 998401) is N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1cc(C)ccc1C)S(C)(=O)=O.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is NGYIQNUXAUBBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-5-25-18-9-7-6-8-17(18)21(26(4,23)24)13-19(22)20-16-12-14(2)10-11-15(16)3/h6-12H,5,13H2,1-4H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 376.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 998401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).