5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide

C14H14BrNOS — CID 64695293

IUPAC5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
SMILESCCc1ccccc1CNC(=O)c1csc(Br)c1
InChIInChI=1S/C14H14BrNOS/c1-2-10-5-3-4-6-11(10)8-16-14(17)12-7-13(15)18-9-12/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyCNVSJONFENYMRW-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.00
Rot. Bonds4

About 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide

5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide (PubChem CID 64695293) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
PubChem CID64695293
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
SMILESCCc1ccccc1CNC(=O)c1csc(Br)c1
InChIInChI=1S/C14H14BrNOS/c1-2-10-5-3-4-6-11(10)8-16-14(17)12-7-13(15)18-9-12/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyCNVSJONFENYMRW-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[2-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 110902407
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide
CID 63310048
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
CID 103805592
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
3-[(5-bromothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 62884007
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide (CID 64695293) is 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide is CCc1ccccc1CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide?
The InChIKey is CNVSJONFENYMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-2-10-5-3-4-6-11(10)8-16-14(17)12-7-13(15)18-9-12/h3-7,9H,2,8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 64695293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).