5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide

C14H14BrNOS — CID 43424615

IUPAC5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(Br)c1)c1ccccc1C
InChIInChI=1S/C14H14BrNOS/c1-3-16(12-7-5-4-6-10(12)2)14(17)11-8-13(15)18-9-11/h4-9H,3H2,1-2H3
InChIKeyQHCCXFHMHXBEBJ-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.49
Rot. Bonds3

About 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide

5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide (PubChem CID 43424615) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
PubChem CID43424615
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(Br)c1)c1ccccc1C
InChIInChI=1S/C14H14BrNOS/c1-3-16(12-7-5-4-6-10(12)2)14(17)11-8-13(15)18-9-11/h4-9H,3H2,1-2H3
InChIKeyQHCCXFHMHXBEBJ-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248
(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide
CID 30769698
N-ethyl-3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82829552
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414865
3-benzamido-N-ethyl-N-(2-methylphenyl)benzamide
CID 5158190
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 43424494
4-amino-N-ethyl-6-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 81234362

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide (CID 43424615) is 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide is CCN(C(=O)c1csc(Br)c1)c1ccccc1C.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
The InChIKey is QHCCXFHMHXBEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-3-16(12-7-5-4-6-10(12)2)14(17)11-8-13(15)18-9-11/h4-9H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).