N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C19H24N2O4S — CID 53280023

IUPACN-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)20-18(22)14-6-8-15(9-7-14)21(4)26(23,24)17-12-10-16(25-5)11-13-17/h6-13H,1-5H3,(H,20,22)
InChIKeyFUYAILBUXHCFNW-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.05
Rot. Bonds5

About N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 53280023) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID53280023
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)20-18(22)14-6-8-15(9-7-14)21(4)26(23,24)17-12-10-16(25-5)11-13-17/h6-13H,1-5H3,(H,20,22)
InChIKeyFUYAILBUXHCFNW-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide
CID 2224678
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)benzamide
CID 1289268
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052999
N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1255251
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
CID 1242126

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 53280023) is N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is FUYAILBUXHCFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)20-18(22)14-6-8-15(9-7-14)21(4)26(23,24)17-12-10-16(25-5)11-13-17/h6-13H,1-5H3,(H,20,22).
What are the key properties of N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 376.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 53280023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).