N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

C17H23NO3S — CID 138021728

IUPACN-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc3c(c2)CCC3)CCS1(=O)=O
InChIInChI=1S/C17H23NO3S/c1-17(2)11-15(8-9-22(17,20)21)18-16(19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyZAFMWHVDCJJKJL-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.26
Rot. Bonds2

About N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 138021728) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID138021728
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc3c(c2)CCC3)CCS1(=O)=O
InChIInChI=1S/C17H23NO3S/c1-17(2)11-15(8-9-22(17,20)21)18-16(19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyZAFMWHVDCJJKJL-UHFFFAOYSA-N
XLogP2.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094
N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797791
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753
N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide
CID 138021720
N-(2-aminocyclopropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43593856
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110125194
N-(1,2,3,4-tetrahydroquinolin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43823005
N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 138021728) is N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is CC1(C)CC(NC(=O)c2ccc3c(c2)CCC3)CCS1(=O)=O.
What is the InChIKey of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is ZAFMWHVDCJJKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-17(2)11-15(8-9-22(17,20)21)18-16(19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15H,3-5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 138021728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).