N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide

C22H30N2O4S — CID 26995438

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C22H30N2O4S/c1-15-10-16(2)12-20(11-15)28-9-8-24(7)22(25)19-13-17(3)18(4)21(14-19)29(26,27)23(5)6/h10-14H,8-9H2,1-7H3
InChIKeyZZNJPSXAONPKDC-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.32
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide

N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide (PubChem CID 26995438) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
PubChem CID26995438
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C22H30N2O4S/c1-15-10-16(2)12-20(11-15)28-9-8-24(7)22(25)19-13-17(3)18(4)21(14-19)29(26,27)23(5)6/h10-14H,8-9H2,1-7H3
InChIKeyZZNJPSXAONPKDC-UHFFFAOYSA-N
XLogP3.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide
CID 55431085
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 26995436
N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 31795650
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
ethyl 3-(dimethylsulfamoyl)-4,5-dimethylbenzoate
CID 86921528
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
N-[2-(3,5-dimethylphenoxy)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24517392
3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethylbenzamide
CID 55685521
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81489998

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide (CID 26995438) is N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide is Cc1cc(C)cc(OCCN(C)C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide?
The InChIKey is ZZNJPSXAONPKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-15-10-16(2)12-20(11-15)28-9-8-24(7)22(25)19-13-17(3)18(4)21(14-19)29(26,27)23(5)6/h10-14H,8-9H2,1-7H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide has a molecular weight of 418.56 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide is sourced from PubChem (CID 26995438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).