4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide

C24H33N3O5S — CID 26421713

IUPAC4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
SMILESCCOc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C24H33N3O5S/c1-7-32-20-13-12-19(16-21(20)33(30,31)27(5)6)26-22(28)14-15-25-23(29)17-8-10-18(11-9-17)24(2,3)4/h8-13,16H,7,14-15H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyBBRIGSLNXMKIRZ-UHFFFAOYSA-N
MW475.61 g/mol
LogP3.39
Rot. Bonds9

About 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide (PubChem CID 26421713) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
PubChem CID26421713
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
SMILESCCOc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C24H33N3O5S/c1-7-32-20-13-12-19(16-21(20)33(30,31)27(5)6)26-22(28)14-15-25-23(29)17-8-10-18(11-9-17)24(2,3)4/h8-13,16H,7,14-15H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyBBRIGSLNXMKIRZ-UHFFFAOYSA-N
XLogP3.39
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
tert-butyl N-[4-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-4-oxobutyl]carbamate
CID 9470236
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide
CID 26654085
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
4-bromo-N-[3-[3-(dimethylsulfamoyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 26774195
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 30029948
4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
CID 31743702
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide (CID 26421713) is 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide is CCOc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide?
The InChIKey is BBRIGSLNXMKIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-7-32-20-13-12-19(16-21(20)33(30,31)27(5)6)26-22(28)14-15-25-23(29)17-8-10-18(11-9-17)24(2,3)4/h8-13,16H,7,14-15H2,1-6H3,(H,25,29)(H,26,28).
What are the key properties of 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide has a molecular weight of 475.61 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 26421713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).