N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C22H30N2O4S — CID 132665796

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

About N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 132665796) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID132665796
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCC(NC(=O)C(C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C22H30N2O4S/c1-7-21(18-9-8-15(2)16(3)14-18)23-22(25)17(4)24(29(6,26)27)19-10-12-20(28-5)13-11-19/h8-14,17,21H,7H2,1-6H3,(H,23,25)
InChIKeyPTPZBYPQWNQWMQ-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

(2S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057710
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 125054709
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 125057264
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133163771
(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100699476
(2S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 125057326
(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
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 43908172
(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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 132665796) is N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is CCC(NC(=O)C(C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is PTPZBYPQWNQWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-7-21(18-9-8-15(2)16(3)14-18)23-22(25)17(4)24(29(6,26)27)19-10-12-20(28-5)13-11-19/h8-14,17,21H,7H2,1-6H3,(H,23,25).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)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 N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132665796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).