2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid

C18H22N2O4S2 — CID 138032180

IUPAC2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid
SMILESCc1csc(C2(NS(=O)(=O)c3ccc(C(C)(C)C(=O)O)cc3)CCC2)n1
InChIInChI=1S/C18H22N2O4S2/c1-12-11-25-15(19-12)18(9-4-10-18)20-26(23,24)14-7-5-13(6-8-14)17(2,3)16(21)22/h5-8,11,20H,4,9-10H2,1-3H3,(H,21,22)
InChIKeyRTYAVMCNHISTFM-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.17
Rot. Bonds6

About 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid

2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid (PubChem CID 138032180) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid
PubChem CID138032180
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid
SMILESCc1csc(C2(NS(=O)(=O)c3ccc(C(C)(C)C(=O)O)cc3)CCC2)n1
InChIInChI=1S/C18H22N2O4S2/c1-12-11-25-15(19-12)18(9-4-10-18)20-26(23,24)14-7-5-13(6-8-14)17(2,3)16(21)22/h5-8,11,20H,4,9-10H2,1-3H3,(H,21,22)
InChIKeyRTYAVMCNHISTFM-UHFFFAOYSA-N
XLogP3.17
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid with MolForge

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Related Compounds

2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid
CID 136531124
4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid
CID 119185190
3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide
CID 167894659
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide
CID 119874151
2-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
CID 119887402
2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 28858371
2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976146
2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
CID 111520473
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide
CID 119874183
2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride
CID 119887409
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65085574

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid (CID 138032180) is 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid is Cc1csc(C2(NS(=O)(=O)c3ccc(C(C)(C)C(=O)O)cc3)CCC2)n1.
What is the InChIKey of 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid?
The InChIKey is RTYAVMCNHISTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-12-11-25-15(19-12)18(9-4-10-18)20-26(23,24)14-7-5-13(6-8-14)17(2,3)16(21)22/h5-8,11,20H,4,9-10H2,1-3H3,(H,21,22).
What are the key properties of 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid?
2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid has a molecular weight of 394.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 138032180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).