trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide

C28H30N2O4S — CID 58290809

IUPACtrans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CCC(=O)[C@@H]2CCC[C@H]2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H30N2O4S/c29-35(33,34)27-12-5-4-9-23(27)22-16-13-20(14-17-22)15-18-26(31)24-10-6-11-25(24)28(32)30-19-21-7-2-1-3-8-21/h1-5,7-9,12-14,16-17,24-25H,6,10-11,15,18-19H2,(H,30,32)(H2,29,33,34)/t24-,25-/m1/s1
InChIKeyPDHQGERHIASTCW-JWQCQUIFSA-N
MW490.63 g/mol
LogP4.24
Rot. Bonds9

About trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide

trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide (PubChem CID 58290809) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide
PubChem CID58290809
Molecular FormulaC28H30N2O4S
Molecular Weight490.63 g/mol
Exact Mass490.19
IUPAC Nametrans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CCC(=O)[C@@H]2CCC[C@H]2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H30N2O4S/c29-35(33,34)27-12-5-4-9-23(27)22-16-13-20(14-17-22)15-18-26(31)24-10-6-11-25(24)28(32)30-19-21-7-2-1-3-8-21/h1-5,7-9,12-14,16-17,24-25H,6,10-11,15,18-19H2,(H,30,32)(H2,29,33,34)/t24-,25-/m1/s1
InChIKeyPDHQGERHIASTCW-JWQCQUIFSA-N
XLogP4.24
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-N-[(4-methylphenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 10413839
(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837017
1-N-[(4-phenoxyphenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142836975
2-N-[[4-(2-methylphenyl)phenyl]methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 75009757
trans-(1R,2R)-1-N-[(4-nitrophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 10098683
trans-(1R,2R)-1-N-[(3-methoxyphenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837082
1-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 162579334
(2R)-2-N-[(2-chlorophenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexane-1,2-dicarboxamide
CID 142837085
N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide
CID 142837148
trans-(1S,2S)-1-N-methyl-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 11467411
cis-(1R,2S)-2-N-methyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclobutane-1,2-dicarboxamide
CID 142837098
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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide (CID 58290809) is trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(CCC(=O)[C@@H]2CCC[C@H]2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide?
The InChIKey is PDHQGERHIASTCW-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H30N2O4S/c29-35(33,34)27-12-5-4-9-23(27)22-16-13-20(14-17-22)15-18-26(31)24-10-6-11-25(24)28(32)30-19-21-7-2-1-3-8-21/h1-5,7-9,12-14,16-17,24-25H,6,10-11,15,18-19H2,(H,30,32)(H2,29,33,34)/t24-,25-/m1/s1.
What are the key properties of trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 58290809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).