cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid

C24H24ClNO5S2 — CID 67524752

IUPACcis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid
SMILESCOCCC[C@@]1(c2ccccc2)C[C@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O
InChIInChI=1S/C24H24ClNO5S2/c1-31-15-5-14-23(18-6-3-2-4-7-18)16-24(23,22(27)28)26-33(29,30)21-13-12-20(32-21)17-8-10-19(25)11-9-17/h2-4,6-13,26H,5,14-16H2,1H3,(H,27,28)/t23-,24-/m0/s1
InChIKeySXSKVWRLPTWWJA-ZEQRLZLVSA-N
MW506.05 g/mol
LogP4.94
Rot. Bonds10

About cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid

cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 67524752) has the molecular formula C24H24ClNO5S2 and a molecular weight of 506.05 g/mol. Its IUPAC name is cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid
PubChem CID67524752
Molecular FormulaC24H24ClNO5S2
Molecular Weight506.05 g/mol
Exact Mass505.08
IUPAC Namecis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid
SMILESCOCCC[C@@]1(c2ccccc2)C[C@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O
InChIInChI=1S/C24H24ClNO5S2/c1-31-15-5-14-23(18-6-3-2-4-7-18)16-24(23,22(27)28)26-33(29,30)21-13-12-20(32-21)17-8-10-19(25)11-9-17/h2-4,6-13,26H,5,14-16H2,1H3,(H,27,28)/t23-,24-/m0/s1
InChIKeySXSKVWRLPTWWJA-ZEQRLZLVSA-N
XLogP4.94
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.05
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-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 cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid (CID 67524752) is cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid is COCCC[C@@]1(c2ccccc2)C[C@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O.
What is the InChIKey of cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is SXSKVWRLPTWWJA-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H24ClNO5S2/c1-31-15-5-14-23(18-6-3-2-4-7-18)16-24(23,22(27)28)26-33(29,30)21-13-12-20(32-21)17-8-10-19(25)11-9-17/h2-4,6-13,26H,5,14-16H2,1H3,(H,27,28)/t23-,24-/m0/s1.
What are the key properties of cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid?
cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 506.05 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 67524752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).