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

C21H28N2O4S — CID 40768898

IUPAC(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-23(7-2)28(25,26)20-12-9-18(10-13-20)22-21(24)17(5)27-19-11-8-15(3)16(4)14-19/h8-14,17H,6-7H2,1-5H3,(H,22,24)/t17-/m1/s1
InChIKeyDDYFIOSVXPUDAL-QGZVFWFLSA-N
MW404.53 g/mol
LogP3.74
Rot. Bonds8

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

(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 40768898) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
PubChem CID40768898
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-23(7-2)28(25,26)20-12-9-18(10-13-20)22-21(24)17(5)27-19-11-8-15(3)16(4)14-19/h8-14,17H,6-7H2,1-5H3,(H,22,24)/t17-/m1/s1
InChIKeyDDYFIOSVXPUDAL-QGZVFWFLSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94028048
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953686
ethyl 4-[[(2S)-2-(3,4-dimethylphenoxy)propanoyl]amino]benzoate
CID 889850
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 2969227
(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 7892595
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 7760061
N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 18170408
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide (CID 40768898) is (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is DDYFIOSVXPUDAL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-6-23(7-2)28(25,26)20-12-9-18(10-13-20)22-21(24)17(5)27-19-11-8-15(3)16(4)14-19/h8-14,17H,6-7H2,1-5H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide?
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.74, 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-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 40768898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).