2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide

C22H30N2O5S — CID 132670159

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N2O5S/c1-7-19(17-10-8-15(2)9-11-17)23-22(25)16(3)24(30(6,26)27)20-14-18(28-4)12-13-21(20)29-5/h8-14,16,19H,7H2,1-6H3,(H,23,25)
InChIKeyWVIXMBJPCVPUKA-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.43
Rot. Bonds9

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide (PubChem CID 132670159) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide
PubChem CID132670159
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N2O5S/c1-7-19(17-10-8-15(2)9-11-17)23-22(25)16(3)24(30(6,26)27)20-14-18(28-4)12-13-21(20)29-5/h8-14,16,19H,7H2,1-6H3,(H,23,25)
InChIKeyWVIXMBJPCVPUKA-UHFFFAOYSA-N
XLogP3.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 43908172
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125085283
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133163771
(2S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057710
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132670161
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 125044271
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 132662723
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 125044204
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
CID 132669624
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133162977
N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132665796
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 132662721

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide (CID 132670159) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide is CCC(NC(=O)C(C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide?
The InChIKey is WVIXMBJPCVPUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-7-19(17-10-8-15(2)9-11-17)23-22(25)16(3)24(30(6,26)27)20-14-18(28-4)12-13-21(20)29-5/h8-14,16,19H,7H2,1-6H3,(H,23,25).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide has a molecular weight of 434.56 g/mol, XLogP of 3.43, 9 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-[1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 132670159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).