1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea

C21H27N3O3S — CID 145352517

IUPAC1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea
SMILESCCc1cc2c(c(NC(=O)NS(=O)(=O)N(C)c3ccccc3)c1CC)CCC2
InChIInChI=1S/C21H27N3O3S/c1-4-15-14-16-10-9-13-19(16)20(18(15)5-2)22-21(25)23-28(26,27)24(3)17-11-7-6-8-12-17/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H2,22,23,25)
InChIKeyINOPHELPQMTYNG-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.80
Rot. Bonds6

About 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea

1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea (PubChem CID 145352517) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea.

Molecular Properties

Compound Name1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea
PubChem CID145352517
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea
SMILESCCc1cc2c(c(NC(=O)NS(=O)(=O)N(C)c3ccccc3)c1CC)CCC2
InChIInChI=1S/C21H27N3O3S/c1-4-15-14-16-10-9-13-19(16)20(18(15)5-2)22-21(25)23-28(26,27)24(3)17-11-7-6-8-12-17/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H2,22,23,25)
InChIKeyINOPHELPQMTYNG-UHFFFAOYSA-N
XLogP3.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]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

3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea
CID 171086952
1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-(dimethylamino-methyl-oxo-λ6-sulfanylidene)urea
CID 154660331
1-[1-[benzyl(methyl)amino]ethylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529555
CID 175743982
CID 175743982
1-[2-[[benzyl(ethyl)amino]methyl]prop-2-enylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224142
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]urea
CID 146394318
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-phenylbutan-2-ylsulfonyl)urea
CID 158937407
1-butan-2-ylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529699
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(5-phenylpyrimidin-2-yl)sulfonylurea
CID 137403388
1-[4-[benzyl(ethyl)amino]butan-2-ylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224247
1-[2-(dipropylamino)ethylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224273
1-[1-(benzylamino)propan-2-ylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224180

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea?
The IUPAC name of 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea (CID 145352517) is 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea.
What is the SMILES notation for 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea?
The canonical SMILES for 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea is CCc1cc2c(c(NC(=O)NS(=O)(=O)N(C)c3ccccc3)c1CC)CCC2.
What is the InChIKey of 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea?
The InChIKey is INOPHELPQMTYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-4-15-14-16-10-9-13-19(16)20(18(15)5-2)22-21(25)23-28(26,27)24(3)17-11-7-6-8-12-17/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea?
1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea has a molecular weight of 401.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea is sourced from PubChem (CID 145352517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).