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

C19H21N3O3S — CID 16918036

IUPAC1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCS(=O)(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H21N3O3S/c1-13-7-3-5-9-16(13)22-19(23)20-11-12-26(24,25)18-14(2)21-17-10-6-4-8-15(17)18/h3-10,21H,11-12H2,1-2H3,(H2,20,22,23)
InChIKeyMAJMIQJHIAWFHZ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.38
Rot. Bonds5

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

1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea (PubChem CID 16918036) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea
PubChem CID16918036
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCS(=O)(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H21N3O3S/c1-13-7-3-5-9-16(13)22-19(23)20-11-12-26(24,25)18-14(2)21-17-10-6-4-8-15(17)18/h3-10,21H,11-12H2,1-2H3,(H2,20,22,23)
InChIKeyMAJMIQJHIAWFHZ-UHFFFAOYSA-N
XLogP3.38
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.38
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-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
CID 16918037
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 16918081
2-methyl-1H-indole-3-sulfonic acid
CID 54301014
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
2-(9H-carbazol-2-yloxy)-N-(2-methylphenyl)acetamide
CID 17493998
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea
CID 16918109
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea
CID 16918046
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea (CID 16918036) is 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCS(=O)(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea?
The InChIKey is MAJMIQJHIAWFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-7-3-5-9-16(13)22-19(23)20-11-12-26(24,25)18-14(2)21-17-10-6-4-8-15(17)18/h3-10,21H,11-12H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea?
1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea has a molecular weight of 371.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 16918036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).