N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

C20H26N2O4S — CID 30258326

IUPACN-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-12-26-18-10-8-17(9-11-18)22(27(4,24)25)14-20(23)21-19-13-15(2)6-7-16(19)3/h6-11,13H,5,12,14H2,1-4H3,(H,21,23)
InChIKeyJCROWCIBLXWSGJ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.50
Rot. Bonds8

About N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 30258326) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID30258326
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-12-26-18-10-8-17(9-11-18)22(27(4,24)25)14-20(23)21-19-13-15(2)6-7-16(19)3/h6-11,13H,5,12,14H2,1-4H3,(H,21,23)
InChIKeyJCROWCIBLXWSGJ-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30258311
N-(2-methyl-6-propan-2-ylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30270265
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30275465
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30262204
N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 53280294
N-[1-(4-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901368
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30270464
N-(3-chloro-4-fluorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30267320
N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30268815
2-(4-methyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 21372663

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 30258326) is N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is JCROWCIBLXWSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-12-26-18-10-8-17(9-11-18)22(27(4,24)25)14-20(23)21-19-13-15(2)6-7-16(19)3/h6-11,13H,5,12,14H2,1-4H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.50, 8 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-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 30258326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).