N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide

C20H26N2O3S — CID 132656310

IUPACN-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
SMILESCCC(NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(C)cc1C
InChIInChI=1S/C20H26N2O3S/c1-5-19(18-12-7-14(3)13-15(18)4)21-20(23)16-8-10-17(11-9-16)22-26(24,25)6-2/h7-13,19,22H,5-6H2,1-4H3,(H,21,23)
InChIKeyLRDYLENUIAPTIR-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.95
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide

N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide (PubChem CID 132656310) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
PubChem CID132656310
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
SMILESCCC(NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(C)cc1C
InChIInChI=1S/C20H26N2O3S/c1-5-19(18-12-7-14(3)13-15(18)4)21-20(23)16-8-10-17(11-9-16)22-26(24,25)6-2/h7-13,19,22H,5-6H2,1-4H3,(H,21,23)
InChIKeyLRDYLENUIAPTIR-UHFFFAOYSA-N
XLogP3.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 132656308
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
CID 132650929
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 99997817
4-(benzenesulfonamido)-N-[1-(2-methylphenyl)propyl]benzamide
CID 132663227
4-(azepan-1-ylmethyl)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]benzamide
CID 94014120
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46766789
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide (CID 132656310) is N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide is CCC(NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide?
The InChIKey is LRDYLENUIAPTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-19(18-12-7-14(3)13-15(18)4)21-20(23)16-8-10-17(11-9-16)22-26(24,25)6-2/h7-13,19,22H,5-6H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide?
N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 132656310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).