(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide

C22H30N2O4S — CID 94028048

IUPAC(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1
InChIInChI=1S/C22H30N2O4S/c1-7-24(8-2)29(26,27)20-11-9-19(10-12-20)23-22(25)18(6)28-21-14-15(3)13-16(4)17(21)5/h9-14,18H,7-8H2,1-6H3,(H,23,25)/t18-/m1/s1
InChIKeyZBCBGMUTCDYCGD-GOSISDBHSA-N
MW418.56 g/mol
LogP4.05
Rot. Bonds8

About (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 94028048) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID94028048
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1
InChIInChI=1S/C22H30N2O4S/c1-7-24(8-2)29(26,27)20-11-9-19(10-12-20)23-22(25)18(6)28-21-14-15(3)13-16(4)17(21)5/h9-14,18H,7-8H2,1-6H3,(H,23,25)/t18-/m1/s1
InChIKeyZBCBGMUTCDYCGD-GOSISDBHSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43910232
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94012461
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30387596
(2S)-N-[4-(cyanomethyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019220
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-(diethylsulfamoyl)benzoate
CID 2557565
(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 38018180
(2R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397776
2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 107903298
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 38261962

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 94028048) is (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1.
What is the InChIKey of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is ZBCBGMUTCDYCGD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-7-24(8-2)29(26,27)20-11-9-19(10-12-20)23-22(25)18(6)28-21-14-15(3)13-16(4)17(21)5/h9-14,18H,7-8H2,1-6H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 418.56 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 94028048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).