4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide

C15H15Br2NO2S — CID 80534122

IUPAC4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NO2S/c1-3-6-20-12-7-9(2)4-5-11(12)18-15(19)13-8-10(16)14(17)21-13/h4-5,7-8H,3,6H2,1-2H3,(H,18,19)
InChIKeyNBOFDYPKKWCNHR-UHFFFAOYSA-N
MW433.17 g/mol
LogP5.62
Rot. Bonds5

About 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide (PubChem CID 80534122) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide
PubChem CID80534122
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NO2S/c1-3-6-20-12-7-9(2)4-5-11(12)18-15(19)13-8-10(16)14(17)21-13/h4-5,7-8H,3,6H2,1-2H3,(H,18,19)
InChIKeyNBOFDYPKKWCNHR-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.17
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 80534123
2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 103754686
4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 42971041
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901716
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 55901846
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 47311026
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 102834473

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide (CID 80534122) is 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide is CCCOc1cc(C)ccc1NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide?
The InChIKey is NBOFDYPKKWCNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-3-6-20-12-7-9(2)4-5-11(12)18-15(19)13-8-10(16)14(17)21-13/h4-5,7-8H,3,6H2,1-2H3,(H,18,19).
What are the key properties of 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide has a molecular weight of 433.17 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 80534122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).