trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide

C28H29F3N4O5S — CID 11758140

IUPACtrans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
SMILESCN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cn1)C(=O)[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H29F3N4O5S/c1-35(17-20-12-11-19(16-33-20)22-5-2-3-8-25(22)41(32,38)39)27(37)24-7-4-6-23(24)26(36)34-15-18-9-13-21(14-10-18)40-28(29,30)31/h2-3,5,8-14,16,23-24H,4,6-7,15,17H2,1H3,(H,34,36)(H2,32,38,39)/t23-,24-/m1/s1
InChIKeyDKEZKVDZRFDXIV-DNQXCXABSA-N
MW590.62 g/mol
LogP3.99
Rot. Bonds9

About trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide

trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide (PubChem CID 11758140) has the molecular formula C28H29F3N4O5S and a molecular weight of 590.62 g/mol. Its IUPAC name is trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
PubChem CID11758140
Molecular FormulaC28H29F3N4O5S
Molecular Weight590.62 g/mol
Exact Mass590.18
IUPAC Nametrans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
SMILESCN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cn1)C(=O)[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H29F3N4O5S/c1-35(17-20-12-11-19(16-33-20)22-5-2-3-8-25(22)41(32,38)39)27(37)24-7-4-6-23(24)26(36)34-15-18-9-13-21(14-10-18)40-28(29,30)31/h2-3,5,8-14,16,23-24H,4,6-7,15,17H2,1H3,(H,34,36)(H2,32,38,39)/t23-,24-/m1/s1
InChIKeyDKEZKVDZRFDXIV-DNQXCXABSA-N
XLogP3.99
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.62
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide 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-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide (CID 11758140) is trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide is CN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cn1)C(=O)[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The InChIKey is DKEZKVDZRFDXIV-DNQXCXABSA-N. The full InChI is InChI=1S/C28H29F3N4O5S/c1-35(17-20-12-11-19(16-33-20)22-5-2-3-8-25(22)41(32,38)39)27(37)24-7-4-6-23(24)26(36)34-15-18-9-13-21(14-10-18)40-28(29,30)31/h2-3,5,8-14,16,23-24H,4,6-7,15,17H2,1H3,(H,34,36)(H2,32,38,39)/t23-,24-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide has a molecular weight of 590.62 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 11758140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).