1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea

C19H20FN3O3S — CID 16918037

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
SMILESCc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3S/c1-13-18(16-4-2-3-5-17(16)23-13)27(25,26)11-10-21-19(24)22-12-14-6-8-15(20)9-7-14/h2-9,23H,10-12H2,1H3,(H2,21,22,24)
InChIKeyXVQMAASZUPTBHM-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.89
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea

1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea (PubChem CID 16918037) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
PubChem CID16918037
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
SMILESCc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3S/c1-13-18(16-4-2-3-5-17(16)23-13)27(25,26)11-10-21-19(24)22-12-14-6-8-15(20)9-7-14/h2-9,23H,10-12H2,1H3,(H2,21,22,24)
InChIKeyXVQMAASZUPTBHM-UHFFFAOYSA-N
XLogP2.89
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
CID 16917994
1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea
CID 16918036
1-benzyl-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
CID 16918161
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
2-methyl-1H-indole-3-sulfonic acid
CID 54301014
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
1-[(4-fluorophenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974273
1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
CID 16918142
1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
CID 106335754

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea (CID 16918037) is 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea is Cc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea?
The InChIKey is XVQMAASZUPTBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-13-18(16-4-2-3-5-17(16)23-13)27(25,26)11-10-21-19(24)22-12-14-6-8-15(20)9-7-14/h2-9,23H,10-12H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea?
1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea has a molecular weight of 389.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea is sourced from PubChem (CID 16918037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).