2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide

C22H30N2O4S — CID 43908172

IUPAC2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O4S/c1-7-20(18-10-12-19(28-5)13-11-18)23-22(25)17(4)24(29(6,26)27)21-14-15(2)8-9-16(21)3/h8-14,17,20H,7H2,1-6H3,(H,23,25)
InChIKeyPUEBBKGJESYXIG-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.73
Rot. Bonds8

About 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide (PubChem CID 43908172) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide
PubChem CID43908172
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O4S/c1-7-20(18-10-12-19(28-5)13-11-18)23-22(25)17(4)24(29(6,26)27)21-14-15(2)8-9-16(21)3/h8-14,17,20H,7H2,1-6H3,(H,23,25)
InChIKeyPUEBBKGJESYXIG-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 132670159
N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132665796
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125080120
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125080119
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 92685281
(2S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057710
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 99132773
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 92675295
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 28567008
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92681615
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92681618
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125085283

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide?
The IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide (CID 43908172) is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide?
The canonical SMILES for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide is CCC(NC(=O)C(C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide?
The InChIKey is PUEBBKGJESYXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-7-20(18-10-12-19(28-5)13-11-18)23-22(25)17(4)24(29(6,26)27)21-14-15(2)8-9-16(21)3/h8-14,17,20H,7H2,1-6H3,(H,23,25).
What are the key properties of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide?
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 43908172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).