3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide

C21H27N3O4S — CID 55724845

IUPAC3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)CC)cc2)c1
InChIInChI=1S/C21H27N3O4S/c1-4-15(3)24-29(27,28)19-11-9-17(10-12-19)20(25)23-14-16-7-6-8-18(13-16)21(26)22-5-2/h6-13,15,24H,4-5,14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyVAJJZIFNZPBTKN-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.44
Rot. Bonds9

About 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide

3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide (PubChem CID 55724845) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
PubChem CID55724845
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)CC)cc2)c1
InChIInChI=1S/C21H27N3O4S/c1-4-15(3)24-29(27,28)19-11-9-17(10-12-19)20(25)23-14-16-7-6-8-18(13-16)21(26)22-5-2/h6-13,15,24H,4-5,14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyVAJJZIFNZPBTKN-UHFFFAOYSA-N
XLogP2.44
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-butan-2-yl]sulfamoyl]benzamide
CID 9314645
N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 46494464
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 94044019
N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
CID 71871569
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541
4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55869026
N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 55749562
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide (CID 55724845) is 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide is CCNC(=O)c1cccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)CC)cc2)c1.
What is the InChIKey of 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide?
The InChIKey is VAJJZIFNZPBTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-4-15(3)24-29(27,28)19-11-9-17(10-12-19)20(25)23-14-16-7-6-8-18(13-16)21(26)22-5-2/h6-13,15,24H,4-5,14H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide?
3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 55724845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).