2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide

C23H32N2O4S — CID 132669624

IUPAC2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)NC(CC(C)C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H32N2O4S/c1-16(2)14-20(19-10-8-7-9-11-19)24-23(26)18(4)25(30(6,27)28)21-15-17(3)12-13-22(21)29-5/h7-13,15-16,18,20H,14H2,1-6H3,(H,24,26)
InChIKeyMMAMHMLCNMJMGY-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.06
Rot. Bonds9

About 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide

2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide (PubChem CID 132669624) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
PubChem CID132669624
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)NC(CC(C)C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H32N2O4S/c1-16(2)14-20(19-10-8-7-9-11-19)24-23(26)18(4)25(30(6,27)28)21-15-17(3)12-13-22(21)29-5/h7-13,15-16,18,20H,14H2,1-6H3,(H,24,26)
InChIKeyMMAMHMLCNMJMGY-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 125044204
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 93486515
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 99951842
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125044225
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 132670159
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132670025
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 92684542
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132663186
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125082559
(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
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)propanamide
CID 30387919

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide?
The IUPAC name of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide (CID 132669624) is 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide.
What is the SMILES notation for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide?
The canonical SMILES for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide is COc1ccc(C)cc1N(C(C)C(=O)NC(CC(C)C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide?
The InChIKey is MMAMHMLCNMJMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-16(2)14-20(19-10-8-7-9-11-19)24-23(26)18(4)25(30(6,27)28)21-15-17(3)12-13-22(21)29-5/h7-13,15-16,18,20H,14H2,1-6H3,(H,24,26).
What are the key properties of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide?
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide has a molecular weight of 432.59 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide is sourced from PubChem (CID 132669624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).