3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide

C24H35N3O4S — CID 31610027

IUPAC3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C24H35N3O4S/c1-7-27(8-2)17-19-11-9-18(10-12-19)16-25-23(28)20-13-14-21(31-6)22(15-20)32(29,30)26-24(3,4)5/h9-15,26H,7-8,16-17H2,1-6H3,(H,25,28)
InChIKeyRQTUAUXNISMGPC-UHFFFAOYSA-N
MW461.63 g/mol
LogP3.54
Rot. Bonds10

About 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide

3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 31610027) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
PubChem CID31610027
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C24H35N3O4S/c1-7-27(8-2)17-19-11-9-18(10-12-19)16-25-23(28)20-13-14-21(31-6)22(15-20)32(29,30)26-24(3,4)5/h9-15,26H,7-8,16-17H2,1-6H3,(H,25,28)
InChIKeyRQTUAUXNISMGPC-UHFFFAOYSA-N
XLogP3.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55577278
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55931330
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 46519693
3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 37485901
N-butyl-3-(tert-butylsulfamoyl)-N-ethyl-4-methoxybenzamide
CID 51166061
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 18118896
N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide
CID 60621590

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide (CID 31610027) is 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide is CCN(CC)Cc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is RQTUAUXNISMGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-7-27(8-2)17-19-11-9-18(10-12-19)16-25-23(28)20-13-14-21(31-6)22(15-20)32(29,30)26-24(3,4)5/h9-15,26H,7-8,16-17H2,1-6H3,(H,25,28).
What are the key properties of 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide?
3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide has a molecular weight of 461.63 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 31610027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).