N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide

C22H29ClN2O4S — CID 46387544

IUPACN-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cc1
InChIInChI=1S/C22H29ClN2O4S/c1-4-7-14-29-18-10-8-17(9-11-18)16-24-22(26)20-15-19(12-13-21(20)23)30(27,28)25(5-2)6-3/h8-13,15H,4-7,14,16H2,1-3H3,(H,24,26)
InChIKeyWAYZDHCQSUUTES-UHFFFAOYSA-N
MW453.00 g/mol
LogP4.48
Rot. Bonds11

About N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide

N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide (PubChem CID 46387544) has the molecular formula C22H29ClN2O4S and a molecular weight of 453.00 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
PubChem CID46387544
Molecular FormulaC22H29ClN2O4S
Molecular Weight453.00 g/mol
Exact Mass452.15
IUPAC NameN-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cc1
InChIInChI=1S/C22H29ClN2O4S/c1-4-7-14-29-18-10-8-17(9-11-18)16-24-22(26)20-15-19(12-13-21(20)23)30(27,28)25(5-2)6-3/h8-13,15H,4-7,14,16H2,1-3H3,(H,24,26)
InChIKeyWAYZDHCQSUUTES-UHFFFAOYSA-N
XLogP4.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.00
LogP ≤ 54.48
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-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
CID 55894371
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
2-chloro-5-(diethylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575730
2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46387538
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217476
2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 26423151
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide (CID 46387544) is N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide is CCCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
The InChIKey is WAYZDHCQSUUTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O4S/c1-4-7-14-29-18-10-8-17(9-11-18)16-24-22(26)20-15-19(12-13-21(20)23)30(27,28)25(5-2)6-3/h8-13,15H,4-7,14,16H2,1-3H3,(H,24,26).
What are the key properties of N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide has a molecular weight of 453.00 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 46387544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).