N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide

C22H30N2O4S — CID 9162988

IUPACN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-14-11-16(22(3,4)5)12-15(2)18(14)9-10-24-21(25)19-13-17(29(23,26)27)7-8-20(19)28-6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)(H2,23,26,27)
InChIKeyCCXZGHZLQSEIGT-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 9162988) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID9162988
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-14-11-16(22(3,4)5)12-15(2)18(14)9-10-24-21(25)19-13-17(29(23,26)27)7-8-20(19)28-6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)(H2,23,26,27)
InChIKeyCCXZGHZLQSEIGT-UHFFFAOYSA-N
XLogP3.23
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25469750
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55528317
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide (CID 9162988) is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is CCXZGHZLQSEIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-14-11-16(22(3,4)5)12-15(2)18(14)9-10-24-21(25)19-13-17(29(23,26)27)7-8-20(19)28-6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)(H2,23,26,27).
What are the key properties of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 418.56 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 9162988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).