2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid

C18H21NO5S — CID 75399783

IUPAC2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1CC(=O)O
InChIInChI=1S/C18H21NO5S/c1-12-7-13(2)9-15(8-12)19(3)25(22,23)16-5-6-17(24-4)14(10-16)11-18(20)21/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyCKHLCDLRCGIZJN-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.76
Rot. Bonds6

About 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid

2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid (PubChem CID 75399783) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid
PubChem CID75399783
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1CC(=O)O
InChIInChI=1S/C18H21NO5S/c1-12-7-13(2)9-15(8-12)19(3)25(22,23)16-5-6-17(24-4)14(10-16)11-18(20)21/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyCKHLCDLRCGIZJN-UHFFFAOYSA-N
XLogP2.76
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetic acid
CID 16770686
2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid
CID 154745756
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
3-[(3,5-dimethylphenyl)-methylsulfamoyl]benzoic acid
CID 56797687
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
N-(3,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 39366683
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1337281
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
CID 126388487
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 17434832
4-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 39424256

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid?
The IUPAC name of 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid (CID 75399783) is 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid is COc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1CC(=O)O.
What is the InChIKey of 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid?
The InChIKey is CKHLCDLRCGIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-12-7-13(2)9-15(8-12)19(3)25(22,23)16-5-6-17(24-4)14(10-16)11-18(20)21/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid?
2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid has a molecular weight of 363.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid is sourced from PubChem (CID 75399783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).