N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide

C17H26N4O5S — CID 108518499

IUPACN-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N4O5S/c18-27(24,25)15-4-2-14(3-5-15)6-8-20-17(23)16(22)19-7-1-9-21-10-12-26-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23)(H2,18,24,25)
InChIKeyJWANBYSXTJLQEX-UHFFFAOYSA-N
MW398.49 g/mol
LogP-1.17
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide

N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 108518499) has the molecular formula C17H26N4O5S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID108518499
Molecular FormulaC17H26N4O5S
Molecular Weight398.49 g/mol
Exact Mass398.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N4O5S/c18-27(24,25)15-4-2-14(3-5-15)6-8-20-17(23)16(22)19-7-1-9-21-10-12-26-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23)(H2,18,24,25)
InChIKeyJWANBYSXTJLQEX-UHFFFAOYSA-N
XLogP-1.17
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108503044
1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 108973072
N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 108518499) is N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide is NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is JWANBYSXTJLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5S/c18-27(24,25)15-4-2-14(3-5-15)6-8-20-17(23)16(22)19-7-1-9-21-10-12-26-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23)(H2,18,24,25).
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 398.49 g/mol, XLogP of -1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 108518499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).