N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide

C18H22N2O4S — CID 3387359

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)20-25(22,23)16-10-8-14(9-11-16)19-17(21)13-6-5-7-15(12-13)24-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyBNHZEHVSHLISMY-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.02
Rot. Bonds5

About N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide

N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide (PubChem CID 3387359) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
PubChem CID3387359
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)20-25(22,23)16-10-8-14(9-11-16)19-17(21)13-6-5-7-15(12-13)24-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyBNHZEHVSHLISMY-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3-propoxybenzamide
CID 4960309
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-[4-(tert-butylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1306926
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1311332

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide (CID 3387359) is N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide?
The InChIKey is BNHZEHVSHLISMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-18(2,3)20-25(22,23)16-10-8-14(9-11-16)19-17(21)13-6-5-7-15(12-13)24-4/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide?
N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide has a molecular weight of 362.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 3387359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).