N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide

C20H26N2O3S — CID 132656308

IUPACN-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCCC(NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(C)cc1C
InChIInChI=1S/C20H26N2O3S/c1-6-18(17-10-7-13(2)11-15(17)4)21-20(23)16-9-8-14(3)19(12-16)22-26(5,24)25/h7-12,18,22H,6H2,1-5H3,(H,21,23)
InChIKeyOGKOIOSJXZWSHL-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.86
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide

N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 132656308) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID132656308
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCCC(NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(C)cc1C
InChIInChI=1S/C20H26N2O3S/c1-6-18(17-10-7-13(2)11-15(17)4)21-20(23)16-9-8-14(3)19(12-16)22-26(5,24)25/h7-12,18,22H,6H2,1-5H3,(H,21,23)
InChIKeyOGKOIOSJXZWSHL-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
CID 132656310
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 99997817
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119225437
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 93487088
4-chloro-N-[1-(2,4-dimethylphenyl)propyl]-3-nitrobenzamide
CID 132652761
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953
N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
CID 132650929
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670901

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 132656308) is N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide is CCC(NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is OGKOIOSJXZWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-6-18(17-10-7-13(2)11-15(17)4)21-20(23)16-9-8-14(3)19(12-16)22-26(5,24)25/h7-12,18,22H,6H2,1-5H3,(H,21,23).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 3.86, 6 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]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 132656308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).