2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide

C20H24ClN3O5S — CID 24595727

IUPAC2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O5S/c1-3-22-19(25)14(2)24-20(26)17-13-16(9-10-18(17)21)30(27,28)23-11-12-29-15-7-5-4-6-8-15/h4-10,13-14,23H,3,11-12H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyPFJCDBRHRWGGEC-UHFFFAOYSA-N
MW453.95 g/mol
LogP1.95
Rot. Bonds10

About 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide

2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide (PubChem CID 24595727) has the molecular formula C20H24ClN3O5S and a molecular weight of 453.95 g/mol. Its IUPAC name is 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide
PubChem CID24595727
Molecular FormulaC20H24ClN3O5S
Molecular Weight453.95 g/mol
Exact Mass453.11
IUPAC Name2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O5S/c1-3-22-19(25)14(2)24-20(26)17-13-16(9-10-18(17)21)30(27,28)23-11-12-29-15-7-5-4-6-8-15/h4-10,13-14,23H,3,11-12H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyPFJCDBRHRWGGEC-UHFFFAOYSA-N
XLogP1.95
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 39466987
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41144884
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 24633320
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24625182
2-chloro-N-[(2S)-1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 40718205
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
CID 100557630
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-5-(2-phenoxyethylsulfamoyl)benzamide
CID 31411571
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 78801175
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 17411620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide (CID 24595727) is 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide is CCNC(=O)C(C)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide?
The InChIKey is PFJCDBRHRWGGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S/c1-3-22-19(25)14(2)24-20(26)17-13-16(9-10-18(17)21)30(27,28)23-11-12-29-15-7-5-4-6-8-15/h4-10,13-14,23H,3,11-12H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide?
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide has a molecular weight of 453.95 g/mol, XLogP of 1.95, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 24595727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).