(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide

C21H28N2O5S — CID 26074925

IUPAC(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-20(28-18-12-10-17(27-4)11-13-18)21(24)22-16-8-14-19(15-9-16)29(25,26)23(6-2)7-3/h8-15,20H,5-7H2,1-4H3,(H,22,24)/t20-/m1/s1
InChIKeyDKTIWCTZIHWZNW-HXUWFJFHSA-N
MW420.53 g/mol
LogP3.52
Rot. Bonds10

About (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide

(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide (PubChem CID 26074925) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
PubChem CID26074925
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-20(28-18-12-10-17(27-4)11-13-18)21(24)22-16-8-14-19(15-9-16)29(25,26)23(6-2)7-3/h8-15,20H,5-7H2,1-4H3,(H,22,24)/t20-/m1/s1
InChIKeyDKTIWCTZIHWZNW-HXUWFJFHSA-N
XLogP3.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 9179706
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 17106640
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076761
N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 78843000
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94012461
(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 26075409
(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076240
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide (CID 26074925) is (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide is CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide?
The InChIKey is DKTIWCTZIHWZNW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-20(28-18-12-10-17(27-4)11-13-18)21(24)22-16-8-14-19(15-9-16)29(25,26)23(6-2)7-3/h8-15,20H,5-7H2,1-4H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide?
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide has a molecular weight of 420.53 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 26074925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).