1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea

C23H23F2N3O3S — CID 44529968

IUPAC1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea
SMILESCc1ccc(F)cc1S(=O)(=O)NCC(C)c1ccc(NC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C23H23F2N3O3S/c1-15-6-9-19(25)13-22(15)32(30,31)26-14-16(2)17-7-10-20(11-8-17)27-23(29)28-21-5-3-4-18(24)12-21/h3-13,16,26H,14H2,1-2H3,(H2,27,28,29)
InChIKeyAWBPPQDRIQVXKM-UHFFFAOYSA-N
MW459.52 g/mol
LogP5.00
Rot. Bonds7

About 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea

1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea (PubChem CID 44529968) has the molecular formula C23H23F2N3O3S and a molecular weight of 459.52 g/mol. Its IUPAC name is 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea
PubChem CID44529968
Molecular FormulaC23H23F2N3O3S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC Name1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea
SMILESCc1ccc(F)cc1S(=O)(=O)NCC(C)c1ccc(NC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C23H23F2N3O3S/c1-15-6-9-19(25)13-22(15)32(30,31)26-14-16(2)17-7-10-20(11-8-17)27-23(29)28-21-5-3-4-18(24)12-21/h3-13,16,26H,14H2,1-2H3,(H2,27,28,29)
InChIKeyAWBPPQDRIQVXKM-UHFFFAOYSA-N
XLogP5.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea (CID 44529968) is 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea is Cc1ccc(F)cc1S(=O)(=O)NCC(C)c1ccc(NC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea?
The InChIKey is AWBPPQDRIQVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3S/c1-15-6-9-19(25)13-22(15)32(30,31)26-14-16(2)17-7-10-20(11-8-17)27-23(29)28-21-5-3-4-18(24)12-21/h3-13,16,26H,14H2,1-2H3,(H2,27,28,29).
What are the key properties of 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea?
1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 459.52 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 44529968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).