5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide

C12H18BrNO3S — CID 79952577

IUPAC5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
SMILESCOCCOCCCNC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H18BrNO3S/c1-9-8-10(18-11(9)13)12(15)14-4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyNCWRRCDYQIOUCI-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.60
Rot. Bonds8

About 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide (PubChem CID 79952577) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
PubChem CID79952577
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
SMILESCOCCOCCCNC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H18BrNO3S/c1-9-8-10(18-11(9)13)12(15)14-4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyNCWRRCDYQIOUCI-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430
5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 113252510
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491639
N-(3-azidopropyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79996237
5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
CID 79990881
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79936109
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide (CID 79952577) is 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide is COCCOCCCNC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide?
The InChIKey is NCWRRCDYQIOUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-9-8-10(18-11(9)13)12(15)14-4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide has a molecular weight of 336.25 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79952577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).