2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide

C20H26N2O5S — CID 132662721

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
SMILESCOc1ccc(OC)c(N(C(C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-13-9-14(2)11-16(10-13)21-20(23)15(3)22(28(6,24)25)18-12-17(26-4)7-8-19(18)27-5/h7-12,15H,1-6H3,(H,21,23)
InChIKeyINHFSRMHWZKIPS-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.11
Rot. Bonds7

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 132662721) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
PubChem CID132662721
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
SMILESCOc1ccc(OC)c(N(C(C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-13-9-14(2)11-16(10-13)21-20(23)15(3)22(28(6,24)25)18-12-17(26-4)7-8-19(18)27-5/h7-12,15H,1-6H3,(H,21,23)
InChIKeyINHFSRMHWZKIPS-UHFFFAOYSA-N
XLogP3.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1131201
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133162977
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)propanamide
CID 132671327
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132670161
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 132670159
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 132662723
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
CID 95119251
N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132663881
(2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 125060426
(2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 125057990
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125071295
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94854777

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide (CID 132662721) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide is COc1ccc(OC)c(N(C(C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is INHFSRMHWZKIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-13-9-14(2)11-16(10-13)21-20(23)15(3)22(28(6,24)25)18-12-17(26-4)7-8-19(18)27-5/h7-12,15H,1-6H3,(H,21,23).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 406.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 132662721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).