(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide

C24H25ClN2O4S — CID 28566914

IUPAC(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)cc1Cl
InChIInChI=1S/C24H25ClN2O4S/c1-15-6-5-7-23(17(15)3)31-18(4)24(28)26-19-10-12-21(13-11-19)32(29,30)27-20-9-8-16(2)22(25)14-20/h5-14,18,27H,1-4H3,(H,26,28)/t18-/m1/s1
InChIKeyMISFRCNNLQWDGO-GOSISDBHSA-N
MW472.99 g/mol
LogP5.47
Rot. Bonds7

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

(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 28566914) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is (2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID28566914
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)cc1Cl
InChIInChI=1S/C24H25ClN2O4S/c1-15-6-5-7-23(17(15)3)31-18(4)24(28)26-19-10-12-21(13-11-19)32(29,30)27-20-9-8-16(2)22(25)14-20/h5-14,18,27H,1-4H3,(H,26,28)/t18-/m1/s1
InChIKeyMISFRCNNLQWDGO-GOSISDBHSA-N
XLogP5.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 94016579
(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28567094
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43910232
(2R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397776
2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 132673275
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28631237
(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-phenylpropanamide
CID 43909351
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 38018180
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide (CID 28566914) is (2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)cc1Cl.
What is the InChIKey of (2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is MISFRCNNLQWDGO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-15-6-5-7-23(17(15)3)31-18(4)24(28)26-19-10-12-21(13-11-19)32(29,30)27-20-9-8-16(2)22(25)14-20/h5-14,18,27H,1-4H3,(H,26,28)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide?
(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 472.99 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 28566914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).