N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide

C18H22N2O4S — CID 1320489

IUPACN-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-13-9-10-15(14(2)11-13)19-18(21)12-20(25(4,22)23)16-7-5-6-8-17(16)24-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyDFQSMROFAUKVAC-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.72
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide

N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1320489) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID1320489
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-13-9-10-15(14(2)11-13)19-18(21)12-20(25(4,22)23)16-7-5-6-8-17(16)24-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyDFQSMROFAUKVAC-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 28589582
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120
methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 1311422
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
N-(2,4-dimethylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172229
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51342573
2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 982515
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide (CID 1320489) is N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is DFQSMROFAUKVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-9-10-15(14(2)11-13)19-18(21)12-20(25(4,22)23)16-7-5-6-8-17(16)24-3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1320489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).