ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate

C13H18N2O5S — CID 3067696

IUPACethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O5S/c1-2-20-13(16)14-11-3-5-12(6-4-11)21(17,18)15-7-9-19-10-8-15/h3-6H,2,7-10H2,1H3,(H,14,16)
InChIKeyFRZNYAUQCYFOCI-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.28
Rot. Bonds4

About ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate

ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate (PubChem CID 3067696) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate
PubChem CID3067696
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Nameethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O5S/c1-2-20-13(16)14-11-3-5-12(6-4-11)21(17,18)15-7-9-19-10-8-15/h3-6H,2,7-10H2,1H3,(H,14,16)
InChIKeyFRZNYAUQCYFOCI-UHFFFAOYSA-N
XLogP1.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Carbasulam
CID 15679
2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
4-(Morpholinosulfonyl)aniline
CID 210794
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
Propanamide, N-(4-aminosulfonylphenyl)-3-(4-morpholyl)-
CID 567846
Ethyl {4-[(acetylamino)sulfonyl]phenyl}carbamate
CID 874302
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
3-Methylpentyl(4-sulphamoylphenyl)carbamate
CID 135384691
Carbamic acid, (4-(((2-hydroxyethyl)amino)sulfonyl)phenyl)-, methyl ester
CID 1714975
Carbamic acid, (4-(((3-(4-morpholinyl)propyl)amino)sulfonyl)phenyl)-, ethyl ester
CID 2185728

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate?
The IUPAC name of ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate (CID 3067696) is ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate?
The canonical SMILES for ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate?
The InChIKey is FRZNYAUQCYFOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-2-20-13(16)14-11-3-5-12(6-4-11)21(17,18)15-7-9-19-10-8-15/h3-6H,2,7-10H2,1H3,(H,14,16).
What are the key properties of ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate?
ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate has a molecular weight of 314.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate is sourced from PubChem (CID 3067696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).