methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate

C14H20N2O3S — CID 6471025

IUPACmethyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CN1CCCCCC1
InChIInChI=1S/C14H20N2O3S/c1-19-14(18)11-6-9-20-13(11)15-12(17)10-16-7-4-2-3-5-8-16/h6,9H,2-5,7-8,10H2,1H3,(H,15,17)
InChIKeyUKAPAZLZZLUXCH-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate

methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 6471025) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID6471025
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CN1CCCCCC1
InChIInChI=1S/C14H20N2O3S/c1-19-14(18)11-6-9-20-13(11)15-12(17)10-16-7-4-2-3-5-8-16/h6,9H,2-5,7-8,10H2,1H3,(H,15,17)
InChIKeyUKAPAZLZZLUXCH-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
methyl 2-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22194993
methyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2808764
ethyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 62838370
methyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2808735
methyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22195287
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 17282588
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
methyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22199587
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 7166886
methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194618
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 6471025) is methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)CN1CCCCCC1.
What is the InChIKey of methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is UKAPAZLZZLUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-14(18)11-6-9-20-13(11)15-12(17)10-16-7-4-2-3-5-8-16/h6,9H,2-5,7-8,10H2,1H3,(H,15,17).
What are the key properties of methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 6471025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).