4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide

C20H26N2O3S — CID 110287677

IUPAC4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-20(2,3)17-12-10-16(11-13-17)19(23)21-14-15-26(24,25)22(4)18-8-6-5-7-9-18/h5-13H,14-15H2,1-4H3,(H,21,23)
InChIKeyZDPSOJLWZKNYFA-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.18
Rot. Bonds6

About 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide

4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide (PubChem CID 110287677) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
PubChem CID110287677
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-20(2,3)17-12-10-16(11-13-17)19(23)21-14-15-26(24,25)22(4)18-8-6-5-7-9-18/h5-13H,14-15H2,1-4H3,(H,21,23)
InChIKeyZDPSOJLWZKNYFA-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
2-(4-chlorophenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]acetamide
CID 110287682
2,4-dichloro-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287713
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate
CID 110287709
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
CID 9479496
N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618292
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
4-tert-butyl-N-[3-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]phenyl]benzamide
CID 99956067
4-[benzenesulfonyl(methyl)amino]-N-(2-tert-butylsulfanylethyl)benzamide
CID 2290586

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide (CID 110287677) is 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide is CN(c1ccccc1)S(=O)(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide?
The InChIKey is ZDPSOJLWZKNYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-20(2,3)17-12-10-16(11-13-17)19(23)21-14-15-26(24,25)22(4)18-8-6-5-7-9-18/h5-13H,14-15H2,1-4H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide?
4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide is sourced from PubChem (CID 110287677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).