(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide

C16H17ClN2O4S — CID 1294665

IUPAC(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-10-9-12(17)3-8-15(10)23-11(2)16(20)19-13-4-6-14(7-5-13)24(18,21)22/h3-9,11H,1-2H3,(H,19,20)(H2,18,21,22)/t11-/m1/s1
InChIKeyUZFPDBVYJRPUII-LLVKDONJSA-N
MW368.84 g/mol
LogP2.70
Rot. Bonds5

About (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide

(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 1294665) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID1294665
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-10-9-12(17)3-8-15(10)23-11(2)16(20)19-13-4-6-14(7-5-13)24(18,21)22/h3-9,11H,1-2H3,(H,19,20)(H2,18,21,22)/t11-/m1/s1
InChIKeyUZFPDBVYJRPUII-LLVKDONJSA-N
XLogP2.70
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 43079181
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
2-(4-chloro-2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 2932272

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide (CID 1294665) is (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide is Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is UZFPDBVYJRPUII-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-10-9-12(17)3-8-15(10)23-11(2)16(20)19-13-4-6-14(7-5-13)24(18,21)22/h3-9,11H,1-2H3,(H,19,20)(H2,18,21,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 368.84 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 1294665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).