N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide

C24H34N2O4S — CID 132673931

IUPACN-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccccc1N(CCCC(=O)NC(CC)c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C24H34N2O4S/c1-6-21(20-15-14-18(3)17-19(20)4)25-24(27)13-10-16-26(31(5,28)29)22-11-8-9-12-23(22)30-7-2/h8-9,11-12,14-15,17,21H,6-7,10,13,16H2,1-5H3,(H,25,27)
InChIKeyLPQFSJAVCQENEB-UHFFFAOYSA-N
MW446.61 g/mol
LogP4.52
Rot. Bonds11

About N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide

N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide (PubChem CID 132673931) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide
PubChem CID132673931
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccccc1N(CCCC(=O)NC(CC)c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C24H34N2O4S/c1-6-21(20-15-14-18(3)17-19(20)4)25-24(27)13-10-16-26(31(5,28)29)22-11-8-9-12-23(22)30-7-2/h8-9,11-12,14-15,17,21H,6-7,10,13,16H2,1-5H3,(H,25,27)
InChIKeyLPQFSJAVCQENEB-UHFFFAOYSA-N
XLogP4.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132450
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(2-methylphenyl)propyl]butanamide
CID 100500255
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132883
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28573016
N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896260
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 46773025
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30225236
4-(2-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165754
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100504476
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 99132446
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide (CID 132673931) is N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide is CCOc1ccccc1N(CCCC(=O)NC(CC)c1ccc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is LPQFSJAVCQENEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-6-21(20-15-14-18(3)17-19(20)4)25-24(27)13-10-16-26(31(5,28)29)22-11-8-9-12-23(22)30-7-2/h8-9,11-12,14-15,17,21H,6-7,10,13,16H2,1-5H3,(H,25,27).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide?
N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 446.61 g/mol, XLogP of 4.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132673931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).