(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide

C24H24Cl2N2O4S — CID 38018180

IUPAC(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C24H24Cl2N2O4S/c1-14-11-15(2)16(3)23(12-14)32-17(4)24(29)27-19-6-8-20(9-7-19)33(30,31)28-22-10-5-18(25)13-21(22)26/h5-13,17,28H,1-4H3,(H,27,29)/t17-/m0/s1
InChIKeyIFJQCCWKUGJDSO-KRWDZBQOSA-N
MW507.44 g/mol
LogP6.13
Rot. Bonds7

About (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 38018180) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID38018180
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC Name(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C24H24Cl2N2O4S/c1-14-11-15(2)16(3)23(12-14)32-17(4)24(29)27-19-6-8-20(9-7-19)33(30,31)28-22-10-5-18(25)13-21(22)26/h5-13,17,28H,1-4H3,(H,27,29)/t17-/m0/s1
InChIKeyIFJQCCWKUGJDSO-KRWDZBQOSA-N
XLogP6.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397776
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43910232
(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide
CID 1001771
(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28567094
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30387596
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
(2R)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158
(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016157
(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28566914

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 38018180) is (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is IFJQCCWKUGJDSO-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-14-11-15(2)16(3)23(12-14)32-17(4)24(29)27-19-6-8-20(9-7-19)33(30,31)28-22-10-5-18(25)13-21(22)26/h5-13,17,28H,1-4H3,(H,27,29)/t17-/m0/s1.
What are the key properties of (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 507.44 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 38018180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).