4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide

C17H29N3O3S — CID 43007097

IUPAC4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCN(CC)CC)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-14(4)19-24(22,23)16-10-8-15(9-11-16)17(21)18-12-13-20(6-2)7-3/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,18,21)
InChIKeyPDBCVYMIRKOAAM-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.84
Rot. Bonds10

About 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide

4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 43007097) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
PubChem CID43007097
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCN(CC)CC)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-14(4)19-24(22,23)16-10-8-15(9-11-16)17(21)18-12-13-20(6-2)7-3/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,18,21)
InChIKeyPDBCVYMIRKOAAM-UHFFFAOYSA-N
XLogP1.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119498659
4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685376
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
3-[[4-(butan-2-ylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119190814
4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide
CID 3291122
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 46494464
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 46597927
N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 119584388
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide (CID 43007097) is 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCCN(CC)CC)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is PDBCVYMIRKOAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-5-14(4)19-24(22,23)16-10-8-15(9-11-16)17(21)18-12-13-20(6-2)7-3/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,18,21).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide?
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 355.50 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 43007097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).