3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide

C22H29N3O4S — CID 46582053

IUPAC3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C22H29N3O4S/c1-15(2)25-30(28,29)19-11-6-8-16(12-19)14-23-20(26)17-9-7-10-18(13-17)24-21(27)22(3,4)5/h6-13,15,25H,14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyLLLIYOWDAMQRFY-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.29
Rot. Bonds7

About 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide

3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 46582053) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
PubChem CID46582053
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C22H29N3O4S/c1-15(2)25-30(28,29)19-11-6-8-16(12-19)14-23-20(26)17-9-7-10-18(13-17)24-21(27)22(3,4)5/h6-13,15,25H,14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyLLLIYOWDAMQRFY-UHFFFAOYSA-N
XLogP3.29
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide with MolForge

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 30545357
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 134057132
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 33023181
N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134035544
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
4-oxo-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 46585374
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656434

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide (CID 46582053) is 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide is CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is LLLIYOWDAMQRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-15(2)25-30(28,29)19-11-6-8-16(12-19)14-23-20(26)17-9-7-10-18(13-17)24-21(27)22(3,4)5/h6-13,15,25H,14H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46582053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).