methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate

C15H21NO4S — CID 114916198

IUPACmethyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C15H21NO4S/c1-7-6-21-13(15(18)19-5)12(7)16-14(17)11-8(2)9(3)20-10(11)4/h6,8-11H,1-5H3,(H,16,17)
InChIKeyRVNKSNGFEBRXKS-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.84
Rot. Bonds3

About methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate

methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 114916198) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID114916198
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C15H21NO4S/c1-7-6-21-13(15(18)19-5)12(7)16-14(17)11-8(2)9(3)20-10(11)4/h6,8-11H,1-5H3,(H,16,17)
InChIKeyRVNKSNGFEBRXKS-UHFFFAOYSA-N
XLogP2.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate 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

methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
CID 114916149
methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 114915617
methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate
CID 3811641
methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate
CID 114915571
methyl 4-methyl-3-(piperidine-3-carbonylamino)thiophene-2-carboxylate
CID 114915597
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
methyl 3-[(2-aminocycloheptanecarbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915584
N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 107574979
methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate
CID 114916114
methyl 3-[(4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915742
5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid
CID 114915310
methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate
CID 114916262

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate (CID 114916198) is methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is RVNKSNGFEBRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-7-6-21-13(15(18)19-5)12(7)16-14(17)11-8(2)9(3)20-10(11)4/h6,8-11H,1-5H3,(H,16,17).
What are the key properties of methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate?
methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 311.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 114916198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).