1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea

C21H27N3O3S — CID 55472850

IUPAC1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C21H27N3O3S/c1-3-24(4-2)28(26,27)18-12-9-16(10-13-18)15-22-21(25)23-20-14-11-17-7-5-6-8-19(17)20/h5-10,12-13,20H,3-4,11,14-15H2,1-2H3,(H2,22,23,25)
InChIKeyNWACRZNUIRZCBQ-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.20
Rot. Bonds7

About 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea

1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 55472850) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
PubChem CID55472850
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C21H27N3O3S/c1-3-24(4-2)28(26,27)18-12-9-16(10-13-18)15-22-21(25)23-20-14-11-17-7-5-6-8-19(17)20/h5-10,12-13,20H,3-4,11,14-15H2,1-2H3,(H2,22,23,25)
InChIKeyNWACRZNUIRZCBQ-UHFFFAOYSA-N
XLogP3.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea with MolForge

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580789
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55499136
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28547172
N-methyl-4-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]benzamide
CID 134006297
1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325904
3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 33315785

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea (CID 55472850) is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC2CCc3ccccc32)cc1.
What is the InChIKey of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is NWACRZNUIRZCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-24(4-2)28(26,27)18-12-9-16(10-13-18)15-22-21(25)23-20-14-11-17-7-5-6-8-19(17)20/h5-10,12-13,20H,3-4,11,14-15H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 401.53 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 55472850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).