4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide

C23H33N3O3S — CID 24640211

IUPAC4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C23H33N3O3S/c1-7-17-8-10-18(11-9-17)21(26(5)6)16-24-22(27)19-12-14-20(15-13-19)30(28,29)25-23(2,3)4/h8-15,21,25H,7,16H2,1-6H3,(H,24,27)
InChIKeyLYGWFILPFNJGKX-UHFFFAOYSA-N
MW431.60 g/mol
LogP3.36
Rot. Bonds8

About 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide

4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide (PubChem CID 24640211) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide
PubChem CID24640211
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C23H33N3O3S/c1-7-17-8-10-18(11-9-17)21(26(5)6)16-24-22(27)19-12-14-20(15-13-19)30(28,29)25-23(2,3)4/h8-15,21,25H,7,16H2,1-6H3,(H,24,27)
InChIKeyLYGWFILPFNJGKX-UHFFFAOYSA-N
XLogP3.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
CID 51969738
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95044301
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-hydroxy-4-nitrobenzamide
CID 24640224
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 24640206
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 24673398
N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide
CID 51153670
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 24640146

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide (CID 24640211) is 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide is CCc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)N(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide?
The InChIKey is LYGWFILPFNJGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-7-17-8-10-18(11-9-17)21(26(5)6)16-24-22(27)19-12-14-20(15-13-19)30(28,29)25-23(2,3)4/h8-15,21,25H,7,16H2,1-6H3,(H,24,27).
What are the key properties of 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide?
4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 431.60 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 24640211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).