1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

C15H23N3O4S — CID 108912931

IUPAC1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c16-23(20,21)14-3-1-12(2-4-14)5-8-17-15(19)18-11-13-6-9-22-10-7-13/h1-4,13H,5-11H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyPXHCFYIWZNGOQS-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.60
Rot. Bonds6

About 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 108912931) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID108912931
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c16-23(20,21)14-3-1-12(2-4-14)5-8-17-15(19)18-11-13-6-9-22-10-7-13/h1-4,13H,5-11H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyPXHCFYIWZNGOQS-UHFFFAOYSA-N
XLogP0.60
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84575707
1-(cyclopropylmethyl)-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111868204
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 30696855
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482
3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide
CID 91768015
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 81425700
1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 97088481
1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea
CID 117234625

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 108912931) is 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is PXHCFYIWZNGOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c16-23(20,21)14-3-1-12(2-4-14)5-8-17-15(19)18-11-13-6-9-22-10-7-13/h1-4,13H,5-11H2,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 341.43 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 108912931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).