methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

C11H9NO3S2 — CID 2808577

IUPACmethyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1cccs1
InChIInChI=1S/C11H9NO3S2/c1-15-11(14)7-4-6-17-10(7)12-9(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13)
InChIKeyXKRUHGJVMLXFNL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 2808577) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID2808577
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Namemethyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1cccs1
InChIInChI=1S/C11H9NO3S2/c1-15-11(14)7-4-6-17-10(7)12-9(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13)
InChIKeyXKRUHGJVMLXFNL-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 7166879
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 95979937
methyl 2-[[(E)-2,3-diaminoprop-2-enoyl]amino]thiophene-3-carboxylate
CID 70971996
N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 75463880
methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 110471808
methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 4053233
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484333
methyl 4-(4-methylphenyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1012402
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
CID 167763040
methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4293499

Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (CID 2808577) is methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1cccs1.
What is the InChIKey of methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is XKRUHGJVMLXFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c1-15-11(14)7-4-6-17-10(7)12-9(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13).
What are the key properties of methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 2808577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).