N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide

C23H23ClN2O4S — CID 60571618

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-2-30-19-13-10-17(11-14-19)12-15-23(27)25-18-6-5-7-20(16-18)31(28,29)26-22-9-4-3-8-21(22)24/h3-11,13-14,16,26H,2,12,15H2,1H3,(H,25,27)
InChIKeyWNNSKIGUHRIZAC-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.11
Rot. Bonds9

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide (PubChem CID 60571618) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide
PubChem CID60571618
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-2-30-19-13-10-17(11-14-19)12-15-23(27)25-18-6-5-7-20(16-18)31(28,29)26-22-9-4-3-8-21(22)24/h3-11,13-14,16,26H,2,12,15H2,1H3,(H,25,27)
InChIKeyWNNSKIGUHRIZAC-UHFFFAOYSA-N
XLogP5.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26593129
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 9415219
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55617002
3-(1,3-benzothiazol-2-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 26593218
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30282664
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-cyclohexylacetamide
CID 29373732
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide
CID 55921642
3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554825
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide (CID 60571618) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide?
The InChIKey is WNNSKIGUHRIZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-2-30-19-13-10-17(11-14-19)12-15-23(27)25-18-6-5-7-20(16-18)31(28,29)26-22-9-4-3-8-21(22)24/h3-11,13-14,16,26H,2,12,15H2,1H3,(H,25,27).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide has a molecular weight of 458.97 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 60571618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).