trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid

C21H19NO5S2 — CID 59692563

IUPACtrans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
SMILESC[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2ccc(O)cc2)s1)C(=O)O
InChIInChI=1S/C21H19NO5S2/c1-20(15-5-3-2-4-6-15)13-21(20,19(24)25)22-29(26,27)18-12-11-17(28-18)14-7-9-16(23)10-8-14/h2-12,22-23H,13H2,1H3,(H,24,25)/t20-,21-/m1/s1
InChIKeyFLNYZVZXGFJGPF-NHCUHLMSSA-N
MW429.52 g/mol
LogP3.58
Rot. Bonds6

About trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid

trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 59692563) has the molecular formula C21H19NO5S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
PubChem CID59692563
Molecular FormulaC21H19NO5S2
Molecular Weight429.52 g/mol
Exact Mass429.07
IUPAC Nametrans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
SMILESC[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2ccc(O)cc2)s1)C(=O)O
InChIInChI=1S/C21H19NO5S2/c1-20(15-5-3-2-4-6-15)13-21(20,19(24)25)22-29(26,27)18-12-11-17(28-18)14-7-9-16(23)10-8-14/h2-12,22-23H,13H2,1H3,(H,24,25)/t20-,21-/m1/s1
InChIKeyFLNYZVZXGFJGPF-NHCUHLMSSA-N
XLogP3.58
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid (CID 59692563) is trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid is C[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2ccc(O)cc2)s1)C(=O)O.
What is the InChIKey of trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is FLNYZVZXGFJGPF-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H19NO5S2/c1-20(15-5-3-2-4-6-15)13-21(20,19(24)25)22-29(26,27)18-12-11-17(28-18)14-7-9-16(23)10-8-14/h2-12,22-23H,13H2,1H3,(H,24,25)/t20-,21-/m1/s1.
What are the key properties of trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 429.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 59692563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).