1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea

C19H21N3O3S — CID 16918046

IUPAC1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea
SMILESCc1c(S(=O)(=O)CCNC(=O)Nc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C19H21N3O3S/c1-14-18(16-10-6-7-11-17(16)22(14)2)26(24,25)13-12-20-19(23)21-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyOHDSFOPFXGTSRN-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea

1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea (PubChem CID 16918046) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea
PubChem CID16918046
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea
SMILESCc1c(S(=O)(=O)CCNC(=O)Nc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C19H21N3O3S/c1-14-18(16-10-6-7-11-17(16)22(14)2)26(24,25)13-12-20-19(23)21-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyOHDSFOPFXGTSRN-UHFFFAOYSA-N
XLogP3.08
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
CID 16918083
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea
CID 16918063
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 16918081
1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
CID 16918061
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 16918119
2-(1,2-dimethylindol-3-yl)sulfonylacetic acid
CID 82487302
1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
CID 16918142
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2,6-difluorophenyl)urea
CID 16918115
1-[2-(methylsulfamoyl)ethyl]-3-phenylurea
CID 110292892
1-benzyl-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
CID 16918161
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 16918126
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea
CID 16918123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea?
The IUPAC name of 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea (CID 16918046) is 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea is Cc1c(S(=O)(=O)CCNC(=O)Nc2ccccc2)c2ccccc2n1C.
What is the InChIKey of 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea?
The InChIKey is OHDSFOPFXGTSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14-18(16-10-6-7-11-17(16)22(14)2)26(24,25)13-12-20-19(23)21-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea?
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea has a molecular weight of 371.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea is sourced from PubChem (CID 16918046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).