1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea

C19H21FN2O3S — CID 46890157

IUPAC1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea
SMILESCNC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C19H21FN2O3S/c1-21-19(23)22-12-14-5-2-4-13-10-17(8-9-18(13)14)26(24,25)16-7-3-6-15(20)11-16/h3,6-11,14H,2,4-5,12H2,1H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyMVDUOOINMKHGMU-AWEZNQCLSA-N
MW376.45 g/mol
LogP3.01
Rot. Bonds4

About 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea

1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea (PubChem CID 46890157) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea
PubChem CID46890157
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea
SMILESCNC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C19H21FN2O3S/c1-21-19(23)22-12-14-5-2-4-13-10-17(8-9-18(13)14)26(24,25)16-7-3-6-15(20)11-16/h3,6-11,14H,2,4-5,12H2,1H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyMVDUOOINMKHGMU-AWEZNQCLSA-N
XLogP3.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea with MolForge

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Related Compounds

Landipirdine
CID 46220503
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 11515192
(R)-N-[6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-methanesulfonamide
CID 11639865
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]-1,4-dihydroimidazol-5-one
CID 11654245
N-[[(1R)-6-(benzenesulfonyl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 11682024
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]acetamide
CID 46889328
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]-N-methylacetamide
CID 46889349
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
CID 46889350
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-methoxyethanamine
CID 46889351
2-amino-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46889353
[6-(Benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylurea
CID 46889858
[(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889890

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea (CID 46890157) is 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea is CNC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea?
The InChIKey is MVDUOOINMKHGMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-21-19(23)22-12-14-5-2-4-13-10-17(8-9-18(13)14)26(24,25)16-7-3-6-15(20)11-16/h3,6-11,14H,2,4-5,12H2,1H3,(H2,21,22,23)/t14-/m0/s1.
What are the key properties of 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea?
1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea has a molecular weight of 376.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-methylurea is sourced from PubChem (CID 46890157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).