[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate

C19H28N2O5S — CID 3307545

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H28N2O5S/c1-2-3-4-14-5-7-15(8-6-14)19(23)26-13-18(22)21-16-9-11-17(12-10-16)27(20,24)25/h9-12,14-15H,2-8,13H2,1H3,(H,21,22)(H2,20,24,25)
InChIKeyVTOCCRKIYOCVMK-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.81
Rot. Bonds8

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate (PubChem CID 3307545) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate
PubChem CID3307545
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H28N2O5S/c1-2-3-4-14-5-7-15(8-6-14)19(23)26-13-18(22)21-16-9-11-17(12-10-16)27(20,24)25/h9-12,14-15H,2-8,13H2,1H3,(H,21,22)(H2,20,24,25)
InChIKeyVTOCCRKIYOCVMK-UHFFFAOYSA-N
XLogP2.81
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate (CID 3307545) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate is CCCCC1CCC(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate?
The InChIKey is VTOCCRKIYOCVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-2-3-4-14-5-7-15(8-6-14)19(23)26-13-18(22)21-16-9-11-17(12-10-16)27(20,24)25/h9-12,14-15H,2-8,13H2,1H3,(H,21,22)(H2,20,24,25).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate has a molecular weight of 396.51 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 3307545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).