N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide

C12H17NO4S — CID 43053942

IUPACN-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCS(=O)(=O)C2)c(C)o1
InChIInChI=1S/C12H17NO4S/c1-8-6-11(9(2)17-8)12(14)13(3)10-4-5-18(15,16)7-10/h6,10H,4-5,7H2,1-3H3
InChIKeyLYFIJIBNEAEOCK-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.16
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide (PubChem CID 43053942) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide
PubChem CID43053942
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCS(=O)(=O)C2)c(C)o1
InChIInChI=1S/C12H17NO4S/c1-8-6-11(9(2)17-8)12(14)13(3)10-4-5-18(15,16)7-10/h6,10H,4-5,7H2,1-3H3
InChIKeyLYFIJIBNEAEOCK-UHFFFAOYSA-N
XLogP1.16
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide 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

N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 8833901
5-bromo-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylbenzamide
CID 65307183
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-2,4-dimethoxy-N-methylbenzamide
CID 18107337
5-amino-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N,3-dimethylbenzamide
CID 103295992
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16531529
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-sulfanylbenzamide
CID 107023419
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
CID 63110270
5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide
CID 2337336

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide (CID 43053942) is N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)C2CCS(=O)(=O)C2)c(C)o1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide?
The InChIKey is LYFIJIBNEAEOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-8-6-11(9(2)17-8)12(14)13(3)10-4-5-18(15,16)7-10/h6,10H,4-5,7H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 43053942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).