N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide

C11H13NO4S2 — CID 99938378

IUPACN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C11H13NO4S2/c1-7-5-9(16-2)10(17-7)11(13)12-8-3-4-18(14,15)6-8/h3-5,8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyDJKJERLSCKVNFL-MRVPVSSYSA-N
MW287.36 g/mol
LogP1.11
Rot. Bonds3

About N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 99938378) has the molecular formula C11H13NO4S2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID99938378
Molecular FormulaC11H13NO4S2
Molecular Weight287.36 g/mol
Exact Mass287.03
IUPAC NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C11H13NO4S2/c1-7-5-9(16-2)10(17-7)11(13)12-8-3-4-18(14,15)6-8/h3-5,8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyDJKJERLSCKVNFL-MRVPVSSYSA-N
XLogP1.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-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

3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 97122536
3-methoxy-5-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119428596
3-methoxy-5-methylthiophene-2-carbonyl chloride
CID 45081654
2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 115731160
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 133268611
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42234848
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-3-methylbenzamide
CID 81480398
3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 95125841
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 70787525
6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide
CID 175883533
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4-methoxyphenyl)thiourea
CID 3810935

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide (CID 99938378) is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide is COc1cc(C)sc1C(=O)N[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is DJKJERLSCKVNFL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO4S2/c1-7-5-9(16-2)10(17-7)11(13)12-8-3-4-18(14,15)6-8/h3-5,8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide?
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 99938378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).