trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid

C23H23ClN2O4S2 — CID 59692667

IUPACtrans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
SMILESCN(C)c1cc(-c2ccc(S(=O)(=O)N[C@@]3(C(=O)O)C[C@]3(C)c3ccccc3)s2)ccc1Cl
InChIInChI=1S/C23H23ClN2O4S2/c1-22(16-7-5-4-6-8-16)14-23(22,21(27)28)25-32(29,30)20-12-11-19(31-20)15-9-10-17(24)18(13-15)26(2)3/h4-13,25H,14H2,1-3H3,(H,27,28)/t22-,23-/m1/s1
InChIKeyRRTUDIKKZHXASW-DHIUTWEWSA-N
MW491.03 g/mol
LogP4.60
Rot. Bonds7

About trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid

trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 59692667) has the molecular formula C23H23ClN2O4S2 and a molecular weight of 491.03 g/mol. Its IUPAC name is trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
PubChem CID59692667
Molecular FormulaC23H23ClN2O4S2
Molecular Weight491.03 g/mol
Exact Mass490.08
IUPAC Nametrans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
SMILESCN(C)c1cc(-c2ccc(S(=O)(=O)N[C@@]3(C(=O)O)C[C@]3(C)c3ccccc3)s2)ccc1Cl
InChIInChI=1S/C23H23ClN2O4S2/c1-22(16-7-5-4-6-8-16)14-23(22,21(27)28)25-32(29,30)20-12-11-19(31-20)15-9-10-17(24)18(13-15)26(2)3/h4-13,25H,14H2,1-3H3,(H,27,28)/t22-,23-/m1/s1
InChIKeyRRTUDIKKZHXASW-DHIUTWEWSA-N
XLogP4.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.03
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]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

Related Compounds

1-[[5-(4-Chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[3-(trifluoromethylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 59692569
trans-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[3-(trifluoromethylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 67525494
2-[[1-Carboxy-2-[3-(trifluoromethylsulfonylamino)phenyl]cyclopropyl]-sulfinatoamino]-5-(4-chlorophenyl)thiophene
CID 90911791
1-[[5-(4-Chlorophenyl)thiophen-2-yl]-sulfinoamino]-2-[3-(trifluoromethylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 90911792
trans-(1S,2R)-1-[[5-(3-amino-4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 11305779
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2,3,4,8b-tetrahydro-1aH-cyclopropa[d][1]benzazepine-1-carboxylic acid
CID 59692278
1-[[5-(4-Chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 59692284
1-[[5-(4-Chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxylic acid
CID 59692299
1-[[5-(4-Chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-nitrophenyl)cyclopropane-1-carboxylic acid
CID 59692313
1-[[5-(4-Chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[3-[(dimethylamino)methyl]phenyl]cyclopropane-1-carboxylic acid
CID 59692377
2-(3-Aminophenyl)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 59692412
1-[[5-(4-Chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[3-[3-(dimethylamino)propanoylamino]phenyl]cyclopropane-1-carboxylic acid
CID 59692421

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid (CID 59692667) is trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid is CN(C)c1cc(-c2ccc(S(=O)(=O)N[C@@]3(C(=O)O)C[C@]3(C)c3ccccc3)s2)ccc1Cl.
What is the InChIKey of trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is RRTUDIKKZHXASW-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H23ClN2O4S2/c1-22(16-7-5-4-6-8-16)14-23(22,21(27)28)25-32(29,30)20-12-11-19(31-20)15-9-10-17(24)18(13-15)26(2)3/h4-13,25H,14H2,1-3H3,(H,27,28)/t22-,23-/m1/s1.
What are the key properties of trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 491.03 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-[[5-[4-chloro-3-(dimethylamino)phenyl]thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 59692667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).