1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea

C22H28FN3O3S — CID 41197033

IUPAC1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C22H28FN3O3S/c1-16-6-5-7-19(14-16)25-22(27)24-12-11-20-8-3-4-13-26(20)30(28,29)21-10-9-18(23)15-17(21)2/h5-7,9-10,14-15,20H,3-4,8,11-13H2,1-2H3,(H2,24,25,27)/t20-/m1/s1
InChIKeyWGMNNNPSVNHQOC-HXUWFJFHSA-N
MW433.55 g/mol
LogP4.20
Rot. Bonds6

About 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea

1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea (PubChem CID 41197033) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
PubChem CID41197033
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C22H28FN3O3S/c1-16-6-5-7-19(14-16)25-22(27)24-12-11-20-8-3-4-13-26(20)30(28,29)21-10-9-18(23)15-17(21)2/h5-7,9-10,14-15,20H,3-4,8,11-13H2,1-2H3,(H2,24,25,27)/t20-/m1/s1
InChIKeyWGMNNNPSVNHQOC-HXUWFJFHSA-N
XLogP4.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylphenyl)oxamide
CID 27280033
1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
CID 18574346
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(4-fluorophenyl)oxamide
CID 41196991
N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide
CID 18574628
N-[2-[(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylphenyl)oxamide
CID 41196705
N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41197054
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-phenylethyl)oxamide
CID 41197046
1-(3-chlorophenyl)-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194481
N'-[2-(dimethylamino)ethyl]-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41196962
N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 16829816
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 41197061
1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280470

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea (CID 41197033) is 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2C)c1.
What is the InChIKey of 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea?
The InChIKey is WGMNNNPSVNHQOC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-16-6-5-7-19(14-16)25-22(27)24-12-11-20-8-3-4-13-26(20)30(28,29)21-10-9-18(23)15-17(21)2/h5-7,9-10,14-15,20H,3-4,8,11-13H2,1-2H3,(H2,24,25,27)/t20-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea?
1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea has a molecular weight of 433.55 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 41197033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).