N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C18H22N2O4S — CID 51210790

IUPACN-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)19-17(21)13-6-5-7-16(12-13)25(22,23)20-14-8-10-15(24-4)11-9-14/h5-12,20H,1-4H3,(H,19,21)
InChIKeyGYLQGANTCAULEC-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.02
Rot. Bonds5

About N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 51210790) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID51210790
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)19-17(21)13-6-5-7-16(12-13)25(22,23)20-14-8-10-15(24-4)11-9-14/h5-12,20H,1-4H3,(H,19,21)
InChIKeyGYLQGANTCAULEC-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

N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
methyl 3-[[3-(tert-butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 99966232
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 51210790) is N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is GYLQGANTCAULEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-18(2,3)19-17(21)13-6-5-7-16(12-13)25(22,23)20-14-8-10-15(24-4)11-9-14/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide 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-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 51210790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).