1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea

C14H23N3O5S — CID 95133816

IUPAC1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCOC[C@H](O)CN(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O5S/c1-17(9-12(18)10-22-2)14(19)16-8-7-11-3-5-13(6-4-11)23(15,20)21/h3-6,12,18H,7-10H2,1-2H3,(H,16,19)(H2,15,20,21)/t12-/m1/s1
InChIKeyQTBURXPPPLFHEC-GFCCVEGCSA-N
MW345.42 g/mol
LogP-0.47
Rot. Bonds8

About 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 95133816) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID95133816
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Name1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCOC[C@H](O)CN(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O5S/c1-17(9-12(18)10-22-2)14(19)16-8-7-11-3-5-13(6-4-11)23(15,20)21/h3-6,12,18H,7-10H2,1-2H3,(H,16,19)(H2,15,20,21)/t12-/m1/s1
InChIKeyQTBURXPPPLFHEC-GFCCVEGCSA-N
XLogP-0.47
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 95133886
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482
1-N'-(2-methoxyethyl)-1-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108972706
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 42957502
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methylurea
CID 95133675
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464216
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 95133816) is 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea is COC[C@H](O)CN(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is QTBURXPPPLFHEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-17(9-12(18)10-22-2)14(19)16-8-7-11-3-5-13(6-4-11)23(15,20)21/h3-6,12,18H,7-10H2,1-2H3,(H,16,19)(H2,15,20,21)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 345.42 g/mol, XLogP of -0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 95133816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).