methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate

C14H17NO3S — CID 114916266

IUPACmethyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)CC1C=CCC1
InChIInChI=1S/C14H17NO3S/c1-9-8-19-13(14(17)18-2)12(9)15-11(16)7-10-5-3-4-6-10/h3,5,8,10H,4,6-7H2,1-2H3,(H,15,16)
InChIKeyHSVGUPWMJJISQR-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.14
Rot. Bonds4

About methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate

methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate (PubChem CID 114916266) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate
PubChem CID114916266
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Namemethyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)CC1C=CCC1
InChIInChI=1S/C14H17NO3S/c1-9-8-19-13(14(17)18-2)12(9)15-11(16)7-10-5-3-4-6-10/h3,5,8,10H,4,6-7H2,1-2H3,(H,15,16)
InChIKeyHSVGUPWMJJISQR-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 47113764
methyl 5-[(2-cyclopent-2-en-1-ylacetyl)amino]thiophene-3-carboxylate
CID 71969723
N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 71849772
N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 97007964
methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate
CID 3811641
5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid
CID 114915310
methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate
CID 114914504
methyl 4-methyl-3-[[2-[1-(2-oxopropyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 177002256
2-[(1S)-cyclopent-2-en-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26192949
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915667
methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
CID 114916149
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate (CID 114916266) is methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)CC1C=CCC1.
What is the InChIKey of methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate?
The InChIKey is HSVGUPWMJJISQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-9-8-19-13(14(17)18-2)12(9)15-11(16)7-10-5-3-4-6-10/h3,5,8,10H,4,6-7H2,1-2H3,(H,15,16).
What are the key properties of methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate?
methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 114916266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).