1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea

C22H22FN3O3S — CID 42705478

IUPAC1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
SMILESCc1ccc(S(=O)(=O)NCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O3S/c1-17-7-13-21(14-8-17)30(28,29)24-15-16-26(20-11-9-18(23)10-12-20)22(27)25-19-5-3-2-4-6-19/h2-14,24H,15-16H2,1H3,(H,25,27)
InChIKeyVMDPSGSTBPXEMU-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.15
Rot. Bonds7

About 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea

1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea (PubChem CID 42705478) has the molecular formula C22H22FN3O3S and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
PubChem CID42705478
Molecular FormulaC22H22FN3O3S
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC Name1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
SMILESCc1ccc(S(=O)(=O)NCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O3S/c1-17-7-13-21(14-8-17)30(28,29)24-15-16-26(20-11-9-18(23)10-12-20)22(27)25-19-5-3-2-4-6-19/h2-14,24H,15-16H2,1H3,(H,25,27)
InChIKeyVMDPSGSTBPXEMU-UHFFFAOYSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1-(4-phenoxyphenyl)urea
CID 42657933
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea
CID 42705425
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 4661824
3-(3,4-dichlorophenyl)-1-[3-[(4-fluorophenyl)sulfonylamino]propyl]-1-phenylurea
CID 42705928
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium
CID 6941397
1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
CID 770559
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
CID 42726048

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea?
The IUPAC name of 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea (CID 42705478) is 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea?
The canonical SMILES for 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea is Cc1ccc(S(=O)(=O)NCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea?
The InChIKey is VMDPSGSTBPXEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S/c1-17-7-13-21(14-8-17)30(28,29)24-15-16-26(20-11-9-18(23)10-12-20)22(27)25-19-5-3-2-4-6-19/h2-14,24H,15-16H2,1H3,(H,25,27).
What are the key properties of 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea?
1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea has a molecular weight of 427.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea is sourced from PubChem (CID 42705478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).