1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

C15H24N4O4S — CID 108988277

IUPAC1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C15H24N4O4S/c16-24(21,22)14-3-1-13(2-4-14)5-6-17-15(20)18-7-8-19-9-11-23-12-10-19/h1-4H,5-12H2,(H2,16,21,22)(H2,17,18,20)
InChIKeyNGPNSEAGJULJLY-UHFFFAOYSA-N
MW356.45 g/mol
LogP-0.49
Rot. Bonds7

About 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 108988277) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID108988277
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C15H24N4O4S/c16-24(21,22)14-3-1-13(2-4-14)5-6-17-15(20)18-7-8-19-9-11-23-12-10-19/h1-4H,5-12H2,(H2,16,21,22)(H2,17,18,20)
InChIKeyNGPNSEAGJULJLY-UHFFFAOYSA-N
XLogP-0.49
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931
1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 108973072
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 113217434
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108503044
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 55695199
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60593286

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 108988277) is 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is NGPNSEAGJULJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c16-24(21,22)14-3-1-13(2-4-14)5-6-17-15(20)18-7-8-19-9-11-23-12-10-19/h1-4H,5-12H2,(H2,16,21,22)(H2,17,18,20).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 356.45 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 108988277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).