[4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate

C23H20ClNO5S2 — CID 39675902

IUPAC[4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
SMILESO=C(Nc1ccc(OC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1)c1cccs1
InChIInChI=1S/C23H20ClNO5S2/c24-16-5-11-19(12-6-16)32(28,29)23(13-1-2-14-23)22(27)30-18-9-7-17(8-10-18)25-21(26)20-4-3-15-31-20/h3-12,15H,1-2,13-14H2,(H,25,26)
InChIKeyXFJXEVQDMHRQOS-UHFFFAOYSA-N
MW490.00 g/mol
LogP5.35
Rot. Bonds6

About [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate

[4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate (PubChem CID 39675902) has the molecular formula C23H20ClNO5S2 and a molecular weight of 490.00 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
PubChem CID39675902
Molecular FormulaC23H20ClNO5S2
Molecular Weight490.00 g/mol
Exact Mass489.05
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
SMILESO=C(Nc1ccc(OC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1)c1cccs1
InChIInChI=1S/C23H20ClNO5S2/c24-16-5-11-19(12-6-16)32(28,29)23(13-1-2-14-23)22(27)30-18-9-7-17(8-10-18)25-21(26)20-4-3-15-31-20/h3-12,15H,1-2,13-14H2,(H,25,26)
InChIKeyXFJXEVQDMHRQOS-UHFFFAOYSA-N
XLogP5.35
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.00
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 94151005
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 19184736
[4-(thiophene-2-carbonylamino)phenyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55538756
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 119309327
[4-(thiophene-2-carbonylamino)phenyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 35607726
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
N-[4-[(1-hydroxycyclopentanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 110911583
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
[4-(thiophene-2-carbonylamino)phenyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 35625717
1-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 848929

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate (CID 39675902) is [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate is O=C(Nc1ccc(OC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1)c1cccs1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate?
The InChIKey is XFJXEVQDMHRQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO5S2/c24-16-5-11-19(12-6-16)32(28,29)23(13-1-2-14-23)22(27)30-18-9-7-17(8-10-18)25-21(26)20-4-3-15-31-20/h3-12,15H,1-2,13-14H2,(H,25,26).
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate?
[4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate has a molecular weight of 490.00 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophene-2-carbonylamino)phenyl] 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 39675902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).