5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide

C12H18BrNO3S — CID 61073233

IUPAC5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNO3S/c1-16-8-3-6-14(7-9-17-2)12(15)10-4-5-11(13)18-10/h4-5H,3,6-9H2,1-2H3
InChIKeyTXNRRNMJUAAPLU-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.64
Rot. Bonds8

About 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide

5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide (PubChem CID 61073233) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide
PubChem CID61073233
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNO3S/c1-16-8-3-6-14(7-9-17-2)12(15)10-4-5-11(13)18-10/h4-5H,3,6-9H2,1-2H3
InChIKeyTXNRRNMJUAAPLU-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-nitrothiophene-2-carboxamide
CID 114033525
1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
CID 82950806
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 60653697
3-[5-[bis(2-methoxyethyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76907312
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 113255190
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 63287168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide (CID 61073233) is 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide is COCCCN(CCOC)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide?
The InChIKey is TXNRRNMJUAAPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-16-8-3-6-14(7-9-17-2)12(15)10-4-5-11(13)18-10/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide?
5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide has a molecular weight of 336.25 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 61073233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).