N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide

C14H16N2O4S — CID 102712167

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)NC(=O)C3)CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O4S/c1-14(4-5-21(19,20)8-14)16-13(18)10-3-2-9-7-12(17)15-11(9)6-10/h2-3,6H,4-5,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyTWLVMJYHSKBWDO-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.49
Rot. Bonds2

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102712167) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102712167
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)NC(=O)C3)CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O4S/c1-14(4-5-21(19,20)8-14)16-13(18)10-3-2-9-7-12(17)15-11(9)6-10/h2-3,6H,4-5,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyTWLVMJYHSKBWDO-UHFFFAOYSA-N
XLogP0.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998184
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
2-N,4-N-bis(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2,4-dicarboxamide
CID 166181280
N-(4,4-dimethylcyclohexyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712432
2-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroindole-6-carboxamide
CID 102969369
4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 63211713
N-(3-methylpyrrolidin-3-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 107422530

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102712167) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide is CC1(NC(=O)c2ccc3c(c2)NC(=O)C3)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is TWLVMJYHSKBWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-14(4-5-21(19,20)8-14)16-13(18)10-3-2-9-7-12(17)15-11(9)6-10/h2-3,6H,4-5,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).