ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate

C16H25N3O5S — CID 2185728

IUPACethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C16H25N3O5S/c1-2-24-16(20)18-14-4-6-15(7-5-14)25(21,22)17-8-3-9-19-10-12-23-13-11-19/h4-7,17H,2-3,8-13H2,1H3,(H,18,20)
InChIKeyLQQQFQDNXIPRGC-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.26
Rot. Bonds8

About ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate

ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate (PubChem CID 2185728) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate
PubChem CID2185728
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Nameethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C16H25N3O5S/c1-2-24-16(20)18-14-4-6-15(7-5-14)25(21,22)17-8-3-9-19-10-12-23-13-11-19/h4-7,17H,2-3,8-13H2,1H3,(H,18,20)
InChIKeyLQQQFQDNXIPRGC-UHFFFAOYSA-N
XLogP1.26
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate (CID 2185728) is ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate?
The InChIKey is LQQQFQDNXIPRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-2-24-16(20)18-14-4-6-15(7-5-14)25(21,22)17-8-3-9-19-10-12-23-13-11-19/h4-7,17H,2-3,8-13H2,1H3,(H,18,20).
What are the key properties of ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate?
ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate has a molecular weight of 371.46 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 2185728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).