1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea

C25H24N2O3S — CID 167776403

IUPAC1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCN(C(=O)NC1CCc2ccc(-c3ccccc3)cc21)C1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C25H24N2O3S/c1-27(23-16-31(29,30)24-10-6-5-9-20(23)24)25(28)26-22-14-13-18-11-12-19(15-21(18)22)17-7-3-2-4-8-17/h2-12,15,22-23H,13-14,16H2,1H3,(H,26,28)
InChIKeyYJWITQXUEZIXPP-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.51
Rot. Bonds3

About 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 167776403) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID167776403
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCN(C(=O)NC1CCc2ccc(-c3ccccc3)cc21)C1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C25H24N2O3S/c1-27(23-16-31(29,30)24-10-6-5-9-20(23)24)25(28)26-22-14-13-18-11-12-19(15-21(18)22)17-7-3-2-4-8-17/h2-12,15,22-23H,13-14,16H2,1H3,(H,26,28)
InChIKeyYJWITQXUEZIXPP-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 86952605
1-ethyl-4,5-dioxo-N-[(1R)-6-phenyl-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
CID 123305156
3-[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-1-(4-fluorophenyl)-1-methylurea
CID 99831705
3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
CID 112832098
3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856542
3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856543
N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide
CID 167827786
1-cyano-3-(2,3-dihydro-1H-inden-1-yl)-1-sulfanylurea
CID 57031420
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 156739684
2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanoic acid
CID 43638679
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine
CID 43522991
3-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoic acid
CID 82540277

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea (CID 167776403) is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea is CN(C(=O)NC1CCc2ccc(-c3ccccc3)cc21)C1CS(=O)(=O)c2ccccc21.
What is the InChIKey of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is YJWITQXUEZIXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-27(23-16-31(29,30)24-10-6-5-9-20(23)24)25(28)26-22-14-13-18-11-12-19(15-21(18)22)17-7-3-2-4-8-17/h2-12,15,22-23H,13-14,16H2,1H3,(H,26,28).
What are the key properties of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea?
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 432.55 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-(6-phenyl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 167776403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).