3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide

C19H23ClN2O4S — CID 108802951

IUPAC3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-3-22(4-2)27(24,25)18-11-7-16(8-12-18)21-19(23)13-14-26-17-9-5-15(20)6-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyDPJGILQHYWIAJH-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.78
Rot. Bonds9

About 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide

3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 108802951) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID108802951
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-3-22(4-2)27(24,25)18-11-7-16(8-12-18)21-19(23)13-14-26-17-9-5-15(20)6-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyDPJGILQHYWIAJH-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
N-[4-(dimethylsulfamoyl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 8917809
(2R)-2-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 9179706
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 2224277
N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1013330
butyl 4-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45372656
N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394040
[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394045
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-ethoxyphenyl)acetamide
CID 2173217

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide (CID 108802951) is 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is DPJGILQHYWIAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-3-22(4-2)27(24,25)18-11-7-16(8-12-18)21-19(23)13-14-26-17-9-5-15(20)6-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 410.92 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 108802951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).