1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea

C21H25N3O5S — CID 16918061

IUPAC1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
SMILESCOc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C21H25N3O5S/c1-14-20(16-7-5-6-8-18(16)24(14)2)30(26,27)12-11-22-21(25)23-17-10-9-15(28-3)13-19(17)29-4/h5-10,13H,11-12H2,1-4H3,(H2,22,23,25)
InChIKeyOEFVYYUVOYLAFN-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.10
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea

1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea (PubChem CID 16918061) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
PubChem CID16918061
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
SMILESCOc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C21H25N3O5S/c1-14-20(16-7-5-6-8-18(16)24(14)2)30(26,27)12-11-22-21(25)23-17-10-9-15(28-3)13-19(17)29-4/h5-10,13H,11-12H2,1-4H3,(H2,22,23,25)
InChIKeyOEFVYYUVOYLAFN-UHFFFAOYSA-N
XLogP3.10
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-phenylurea
CID 16918046
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 16918081
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535330
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 16918126
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid
CID 4661483
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
1-(2,4-dimethoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
CID 162667381
N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47987974
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea (CID 16918061) is 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea is COc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc23)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea?
The InChIKey is OEFVYYUVOYLAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-14-20(16-7-5-6-8-18(16)24(14)2)30(26,27)12-11-22-21(25)23-17-10-9-15(28-3)13-19(17)29-4/h5-10,13H,11-12H2,1-4H3,(H2,22,23,25).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea?
1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea has a molecular weight of 431.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea is sourced from PubChem (CID 16918061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).