1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea

C15H23N3O4S — CID 38330248

IUPAC1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCNS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)c1
InChIInChI=1S/C15H23N3O4S/c1-11(14-7-4-8-22-14)18-15(19)17-10-12-5-3-6-13(9-12)23(20,21)16-2/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3,(H2,17,18,19)/t11-,14-/m1/s1
InChIKeyHVYCLUFZEUMCQA-BXUZGUMPSA-N
MW341.43 g/mol
LogP0.96
Rot. Bonds6

About 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea

1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 38330248) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID38330248
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCNS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)c1
InChIInChI=1S/C15H23N3O4S/c1-11(14-7-4-8-22-14)18-15(19)17-10-12-5-3-6-13(9-12)23(20,21)16-2/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3,(H2,17,18,19)/t11-,14-/m1/s1
InChIKeyHVYCLUFZEUMCQA-BXUZGUMPSA-N
XLogP0.96
TPSA96.53 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 ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873458
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
3-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 43533927
5-(methylsulfamoyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]furan-2-carboxamide
CID 35265676
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786
1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 134006680
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
CID 55683756
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 94179210

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 38330248) is 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea is CNS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)c1.
What is the InChIKey of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is HVYCLUFZEUMCQA-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11(14-7-4-8-22-14)18-15(19)17-10-12-5-3-6-13(9-12)23(20,21)16-2/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3,(H2,17,18,19)/t11-,14-/m1/s1.
What are the key properties of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 341.43 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 38330248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).