1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea

C17H24N2O3S — CID 75522874

IUPAC1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(NCCS(=O)(=O)CC1CCC1)NC1Cc2ccccc2C1
InChIInChI=1S/C17H24N2O3S/c20-17(18-8-9-23(21,22)12-13-4-3-5-13)19-16-10-14-6-1-2-7-15(14)11-16/h1-2,6-7,13,16H,3-5,8-12H2,(H2,18,19,20)
InChIKeyJNNZBAKNMBHLNI-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.67
Rot. Bonds6

About 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea

1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea (PubChem CID 75522874) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea.

Molecular Properties

Compound Name1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
PubChem CID75522874
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(NCCS(=O)(=O)CC1CCC1)NC1Cc2ccccc2C1
InChIInChI=1S/C17H24N2O3S/c20-17(18-8-9-23(21,22)12-13-4-3-5-13)19-16-10-14-6-1-2-7-15(14)11-16/h1-2,6-7,13,16H,3-5,8-12H2,(H2,18,19,20)
InChIKeyJNNZBAKNMBHLNI-UHFFFAOYSA-N
XLogP1.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
CID 75522852
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea
CID 122142432
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3496710
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
3-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 107842751
2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107839632
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 86791947
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea
CID 124618765
N-(2,3-dihydro-1H-inden-2-yl)-2-piperidin-3-ylacetamide
CID 107842647

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea?
The IUPAC name of 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea (CID 75522874) is 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea.
What is the SMILES notation for 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea?
The canonical SMILES for 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea is O=C(NCCS(=O)(=O)CC1CCC1)NC1Cc2ccccc2C1.
What is the InChIKey of 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea?
The InChIKey is JNNZBAKNMBHLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(18-8-9-23(21,22)12-13-4-3-5-13)19-16-10-14-6-1-2-7-15(14)11-16/h1-2,6-7,13,16H,3-5,8-12H2,(H2,18,19,20).
What are the key properties of 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea?
1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea has a molecular weight of 336.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea is sourced from PubChem (CID 75522874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).