2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide

C20H25ClN2O4S — CID 17106640

IUPAC2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-19(27-17-9-7-8-15(21)14-17)20(24)22-16-10-12-18(13-11-16)28(25,26)23(5-2)6-3/h7-14,19H,4-6H2,1-3H3,(H,22,24)
InChIKeyMNHMULXMLAZMKS-UHFFFAOYSA-N
MW424.95 g/mol
LogP4.17
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide

2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide (PubChem CID 17106640) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
PubChem CID17106640
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-19(27-17-9-7-8-15(21)14-17)20(24)22-16-10-12-18(13-11-16)28(25,26)23(5-2)6-3/h7-14,19H,4-6H2,1-3H3,(H,22,24)
InChIKeyMNHMULXMLAZMKS-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 9179706
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26074925
2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43908669
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
(2S)-2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 38005943
2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43916258
(2R)-2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 38005936
4-[2-(3-chlorophenoxy)butanoylamino]benzoic acid
CID 43886456
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
methyl 4-[[(2R)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28635665
(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 93486859

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide (CID 17106640) is 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide?
The InChIKey is MNHMULXMLAZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-19(27-17-9-7-8-15(21)14-17)20(24)22-16-10-12-18(13-11-16)28(25,26)23(5-2)6-3/h7-14,19H,4-6H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide?
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide has a molecular weight of 424.95 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 17106640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).