1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea

C22H18FN3OS — CID 46381079

IUPAC1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1
InChIInChI=1S/C22H18FN3OS/c1-28-19-4-2-3-18(13-19)25-22(27)24-17-8-5-14(6-9-17)21-12-15-11-16(23)7-10-20(15)26-21/h2-13,26H,1H3,(H2,24,25,27)
InChIKeyGVARKXWDBRDJLW-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.34
Rot. Bonds4

About 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea

1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 46381079) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID46381079
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1
InChIInChI=1S/C22H18FN3OS/c1-28-19-4-2-3-18(13-19)25-22(27)24-17-8-5-14(6-9-17)21-12-15-11-16(23)7-10-20(15)26-21/h2-13,26H,1H3,(H2,24,25,27)
InChIKeyGVARKXWDBRDJLW-UHFFFAOYSA-N
XLogP6.34
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381042
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934
1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 46381077
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381066
2-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334527
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide
CID 46375026
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380950
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea (CID 46381079) is 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is GVARKXWDBRDJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-28-19-4-2-3-18(13-19)25-22(27)24-17-8-5-14(6-9-17)21-12-15-11-16(23)7-10-20(15)26-21/h2-13,26H,1H3,(H2,24,25,27).
What are the key properties of 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea?
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 391.47 g/mol, XLogP of 6.34, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 46381079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).