4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide

C13H19Br2NO2S — CID 113222390

IUPAC4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H19Br2NO2S/c1-4-9(5-2)16(6-7-18-3)13(17)11-8-10(14)12(15)19-11/h8-9H,4-7H2,1-3H3
InChIKeyBQMBDQUEEBRSLG-UHFFFAOYSA-N
MW413.18 g/mol
LogP4.55
Rot. Bonds7

About 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide

4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide (PubChem CID 113222390) has the molecular formula C13H19Br2NO2S and a molecular weight of 413.18 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
PubChem CID113222390
Molecular FormulaC13H19Br2NO2S
Molecular Weight413.18 g/mol
Exact Mass410.95
IUPAC Name4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H19Br2NO2S/c1-4-9(5-2)16(6-7-18-3)13(17)11-8-10(14)12(15)19-11/h8-9H,4-7H2,1-3H3
InChIKeyBQMBDQUEEBRSLG-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.18
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 112729543
2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969488
4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
CID 80536635
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335
4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide
CID 78997601
2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026543
4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide
CID 61108846
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 54896302
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
2-[(4,5-dibromothiophen-2-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 102845098

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide (CID 113222390) is 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide is CCC(CC)N(CCOC)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide?
The InChIKey is BQMBDQUEEBRSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO2S/c1-4-9(5-2)16(6-7-18-3)13(17)11-8-10(14)12(15)19-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide?
4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide has a molecular weight of 413.18 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 113222390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).