2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide

C21H28N2O4S — CID 4940978

IUPAC2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-7-16-27-20-11-9-8-10-19(20)21(24)22-17-12-14-18(15-13-17)28(25,26)23(5-2)6-3/h8-15H,4-7,16H2,1-3H3,(H,22,24)
InChIKeyLFLNQOHYVVHGQP-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.15
Rot. Bonds10

About 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide

2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide (PubChem CID 4940978) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
PubChem CID4940978
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-7-16-27-20-11-9-8-10-19(20)21(24)22-17-12-14-18(15-13-17)28(25,26)23(5-2)6-3/h8-15H,4-7,16H2,1-3H3,(H,22,24)
InChIKeyLFLNQOHYVVHGQP-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399
N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 4942085
N-[4-(diethylsulfamoyl)phenyl]-2-phenoxybenzamide
CID 1214319
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide
CID 4942095
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide
CID 4941952
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1292592

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide (CID 4940978) is 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide is CCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide?
The InChIKey is LFLNQOHYVVHGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-7-16-27-20-11-9-8-10-19(20)21(24)22-17-12-14-18(15-13-17)28(25,26)23(5-2)6-3/h8-15H,4-7,16H2,1-3H3,(H,22,24).
What are the key properties of 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide?
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4940978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).