1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea

C20H24FN3O5S — CID 75397382

IUPAC1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea
SMILESCOc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cc(F)ccc3OC(C)C)C2)cc1
InChIInChI=1S/C20H24FN3O5S/c1-13(2)29-19-9-4-14(21)10-18(19)23-20(25)22-15-11-24(12-15)30(26,27)17-7-5-16(28-3)6-8-17/h4-10,13,15H,11-12H2,1-3H3,(H2,22,23,25)
InChIKeyUOODNWNRRQHEBF-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.82
Rot. Bonds7

About 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea

1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea (PubChem CID 75397382) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea
PubChem CID75397382
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea
SMILESCOc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cc(F)ccc3OC(C)C)C2)cc1
InChIInChI=1S/C20H24FN3O5S/c1-13(2)29-19-9-4-14(21)10-18(19)23-20(25)22-15-11-24(12-15)30(26,27)17-7-5-16(28-3)6-8-17/h4-10,13,15H,11-12H2,1-3H3,(H2,22,23,25)
InChIKeyUOODNWNRRQHEBF-UHFFFAOYSA-N
XLogP2.82
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea
CID 71908243
N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine
CID 99833771
2-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681809
1-butan-2-yl-3-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]urea
CID 50847793
N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 46423597
N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide
CID 56803361
N-(2,4-difluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3480596
2-(cyclopropylmethylamino)-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide
CID 119770220
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
2-amino-N-(5-methoxy-2-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119318030
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 40947216
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3746097

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea?
The IUPAC name of 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea (CID 75397382) is 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea.
What is the SMILES notation for 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea?
The canonical SMILES for 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea is COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cc(F)ccc3OC(C)C)C2)cc1.
What is the InChIKey of 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea?
The InChIKey is UOODNWNRRQHEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-13(2)29-19-9-4-14(21)10-18(19)23-20(25)22-15-11-24(12-15)30(26,27)17-7-5-16(28-3)6-8-17/h4-10,13,15H,11-12H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea?
1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea has a molecular weight of 437.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea is sourced from PubChem (CID 75397382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).