[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

C19H22N2O5S2 — CID 2386323

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NC1CCCCC1
InChIInChI=1S/C19H22N2O5S2/c22-17(20-14-7-2-1-3-8-14)13-26-19(23)15-9-4-5-10-16(15)21-28(24,25)18-11-6-12-27-18/h4-6,9-12,14,21H,1-3,7-8,13H2,(H,20,22)
InChIKeyJWUYEOWKOMTYAL-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.15
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 2386323) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID2386323
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NC1CCCCC1
InChIInChI=1S/C19H22N2O5S2/c22-17(20-14-7-2-1-3-8-14)13-26-19(23)15-9-4-5-10-16(15)21-28(24,25)18-11-6-12-27-18/h4-6,9-12,14,21H,1-3,7-8,13H2,(H,20,22)
InChIKeyJWUYEOWKOMTYAL-UHFFFAOYSA-N
XLogP3.15
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate (CID 2386323) is [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate is O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is JWUYEOWKOMTYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c22-17(20-14-7-2-1-3-8-14)13-26-19(23)15-9-4-5-10-16(15)21-28(24,25)18-11-6-12-27-18/h4-6,9-12,14,21H,1-3,7-8,13H2,(H,20,22).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 422.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 2386323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).