4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

C13H14BrNO2S2 — CID 73167960

IUPAC4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
SMILESCOCCN(Cc1ccsc1)C(=O)c1cc(Br)cs1
InChIInChI=1S/C13H14BrNO2S2/c1-17-4-3-15(7-10-2-5-18-8-10)13(16)12-6-11(14)9-19-12/h2,5-6,8-9H,3-4,7H2,1H3
InChIKeyXUJKRXZZKYFGNG-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.86
Rot. Bonds6

About 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 73167960) has the molecular formula C13H14BrNO2S2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
PubChem CID73167960
Molecular FormulaC13H14BrNO2S2
Molecular Weight360.30 g/mol
Exact Mass358.96
IUPAC Name4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
SMILESCOCCN(Cc1ccsc1)C(=O)c1cc(Br)cs1
InChIInChI=1S/C13H14BrNO2S2/c1-17-4-3-15(7-10-2-5-18-8-10)13(16)12-6-11(14)9-19-12/h2,5-6,8-9H,3-4,7H2,1H3
InChIKeyXUJKRXZZKYFGNG-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Bromothiophen-2-yl)(morpholino)methanone
CID 23438053
(3-Bromothiophen-2-yl)(2-methylmorpholino)methanone
CID 47039165
4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1245463
4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 2225534
4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 4841302
4-Bromo-N-[2-(thiophen-3-YL)ethyl]thiophene-2-carboxamide
CID 71806700
(4-Bromothiophen-2-yl)(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 71806923
(4-Bromothiophen-2-yl)(4-(thiophen-3-yl)piperidin-1-yl)methanone
CID 71807072
4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 72717903
4-bromo-N-cyclopropyl-N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 72717919
N-[(R)-2-methoxy-2-(3-thienyl)ethyl]-4-bromo-2-thenamide
CID 97427364
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}-4-bromo-2-thenamide
CID 100701966

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (CID 73167960) is 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is COCCN(Cc1ccsc1)C(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XUJKRXZZKYFGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S2/c1-17-4-3-15(7-10-2-5-18-8-10)13(16)12-6-11(14)9-19-12/h2,5-6,8-9H,3-4,7H2,1H3.
What are the key properties of 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 360.30 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 73167960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).