(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide

C25H28N2O4S — CID 94016579

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1C
InChIInChI=1S/C25H28N2O4S/c1-16-8-7-11-23(19(16)4)31-20(5)25(28)26-21-12-14-22(15-13-21)32(29,30)27-24-17(2)9-6-10-18(24)3/h6-15,20,27H,1-5H3,(H,26,28)/t20-/m1/s1
InChIKeyCBRNLRMDZPTTFA-HXUWFJFHSA-N
MW452.58 g/mol
LogP5.13
Rot. Bonds7

About (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide

(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 94016579) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID94016579
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1C
InChIInChI=1S/C25H28N2O4S/c1-16-8-7-11-23(19(16)4)31-20(5)25(28)26-21-12-14-22(15-13-21)32(29,30)27-24-17(2)9-6-10-18(24)3/h6-15,20,27H,1-5H3,(H,26,28)/t20-/m1/s1
InChIKeyCBRNLRMDZPTTFA-HXUWFJFHSA-N
XLogP5.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28566914
(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28567094
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2R)-2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92681510
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43910232
(2R)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816091
(2S)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816093
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
(2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 98377173
(2R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397776
(2R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 41301053
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide (CID 94016579) is (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide is Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1C.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is CBRNLRMDZPTTFA-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-16-8-7-11-23(19(16)4)31-20(5)25(28)26-21-12-14-22(15-13-21)32(29,30)27-24-17(2)9-6-10-18(24)3/h6-15,20,27H,1-5H3,(H,26,28)/t20-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 452.58 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 94016579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).