4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide

C24H34N2O3S — CID 132669081

IUPAC4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
SMILESCCC(NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C24H34N2O3S/c1-7-23(21-12-10-17(2)19(4)15-21)25-24(27)9-8-14-26(30(6,28)29)22-13-11-18(3)20(5)16-22/h10-13,15-16,23H,7-9,14H2,1-6H3,(H,25,27)
InChIKeyKOMPDLRRLIQJJN-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.73
Rot. Bonds9

About 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide

4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide (PubChem CID 132669081) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
PubChem CID132669081
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
SMILESCCC(NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C24H34N2O3S/c1-7-23(21-12-10-17(2)19(4)15-21)25-24(27)9-8-14-26(30(6,28)29)22-13-11-18(3)20(5)16-22/h10-13,15-16,23H,7-9,14H2,1-6H3,(H,25,27)
InChIKeyKOMPDLRRLIQJJN-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]butanamide
CID 43905927
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 132665209
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132669688
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53281030
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)propyl]butanamide
CID 53287778
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 94019283
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895471
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38008993
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99130773
4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191616
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(1R)-1-(3,4-dimethylphenyl)propyl]acetamide
CID 30248852

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide?
The IUPAC name of 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide (CID 132669081) is 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide?
The canonical SMILES for 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide is CCC(NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1.
What is the InChIKey of 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide?
The InChIKey is KOMPDLRRLIQJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-7-23(21-12-10-17(2)19(4)15-21)25-24(27)9-8-14-26(30(6,28)29)22-13-11-18(3)20(5)16-22/h10-13,15-16,23H,7-9,14H2,1-6H3,(H,25,27).
What are the key properties of 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide?
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide has a molecular weight of 430.61 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide is sourced from PubChem (CID 132669081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).