4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide

C20H25ClN2O4S — CID 60538447

IUPAC4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2C)ccc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)19-14-16(10-11-17(19)21)20(24)22-12-13-27-18-9-7-6-8-15(18)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyOSEDHAYGFDLSDN-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.49
Rot. Bonds9

About 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide

4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide (PubChem CID 60538447) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
PubChem CID60538447
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2C)ccc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)19-14-16(10-11-17(19)21)20(24)22-12-13-27-18-9-7-6-8-15(18)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyOSEDHAYGFDLSDN-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.49
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-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 8503404
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 39698452
3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
CID 9194405
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100933
1-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 26838157
methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate
CID 17475289
N-[2-(2-methylphenoxy)ethyl]-4-[(2,4,5-trichloro-N-methylsulfonylanilino)methyl]benzamide
CID 100507558
4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134013903
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 55954991
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 34940830

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide (CID 60538447) is 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2C)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide?
The InChIKey is OSEDHAYGFDLSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)19-14-16(10-11-17(19)21)20(24)22-12-13-27-18-9-7-6-8-15(18)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide?
4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide has a molecular weight of 424.95 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 60538447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).