N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C20H26N2O3S — CID 46520353

IUPACN-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C20H26N2O3S/c1-6-16-7-9-17(10-8-16)15(4)22-20(23)18-11-13(2)14(3)19(12-18)26(24,25)21-5/h7-12,15,21H,6H2,1-5H3,(H,22,23)
InChIKeyUHTMKXURMBAARD-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.26
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 46520353) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID46520353
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C20H26N2O3S/c1-6-16-7-9-17(10-8-16)15(4)22-20(23)18-11-13(2)14(3)19(12-18)26(24,25)21-5/h7-12,15,21H,6H2,1-5H3,(H,22,23)
InChIKeyUHTMKXURMBAARD-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 31001991
N-[1-(4-ethylphenyl)ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 133166385
N-[1-(4-ethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 133228176
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320
3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide
CID 32648511
N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 17472832
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 26001159
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270
3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide
CID 134028865

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 46520353) is N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CCc1ccc(C(C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is UHTMKXURMBAARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-6-16-7-9-17(10-8-16)15(4)22-20(23)18-11-13(2)14(3)19(12-18)26(24,25)21-5/h7-12,15,21H,6H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 46520353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).