3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide

C22H29N3O4S — CID 33022275

IUPAC3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C22H29N3O4S/c1-5-25(6-2)30(28,29)20-12-8-10-18(14-20)22(27)23-15-17-9-7-11-19(13-17)24-21(26)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMSNOZHBNDWZZCN-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.24
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide

3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide (PubChem CID 33022275) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
PubChem CID33022275
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C22H29N3O4S/c1-5-25(6-2)30(28,29)20-12-8-10-18(14-20)22(27)23-15-17-9-7-11-19(13-17)24-21(26)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMSNOZHBNDWZZCN-UHFFFAOYSA-N
XLogP3.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 33023181
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 33013667
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 17491912
3-(diethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533714
3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2488897
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647421
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide (CID 33022275) is 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C(C)C)c2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The InChIKey is MSNOZHBNDWZZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-5-25(6-2)30(28,29)20-12-8-10-18(14-20)22(27)23-15-17-9-7-11-19(13-17)24-21(26)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 33022275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).