N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide

C20H26N2O3S — CID 24546841

IUPACN-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-14-6-11-17(26(21,24)25)12-18(14)19(23)22(5)13-15-7-9-16(10-8-15)20(2,3)4/h6-12H,13H2,1-5H3,(H2,21,24,25)
InChIKeyFAEKMECCRUYFGE-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.21
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide

N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide (PubChem CID 24546841) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
PubChem CID24546841
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-14-6-11-17(26(21,24)25)12-18(14)19(23)22(5)13-15-7-9-16(10-8-15)20(2,3)4/h6-12H,13H2,1-5H3,(H2,21,24,25)
InChIKeyFAEKMECCRUYFGE-UHFFFAOYSA-N
XLogP3.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 32895401
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27861266
2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 34889810
5-(dimethylsulfamoyl)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 8966841
N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide
CID 31236411
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide
CID 115640375
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24544465
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide (CID 24546841) is N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The InChIKey is FAEKMECCRUYFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-6-11-17(26(21,24)25)12-18(14)19(23)22(5)13-15-7-9-16(10-8-15)20(2,3)4/h6-12H,13H2,1-5H3,(H2,21,24,25).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 24546841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).