N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide

C12H12BrNOS2 — CID 78985898

IUPACN-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCc1sccc1Br
InChIInChI=1S/C12H12BrNOS2/c1-2-8-3-5-17-11(8)12(15)14-7-10-9(13)4-6-16-10/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyIZAVEQJPQVXXJN-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.06
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide

N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide (PubChem CID 78985898) has the molecular formula C12H12BrNOS2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
PubChem CID78985898
Molecular FormulaC12H12BrNOS2
Molecular Weight330.27 g/mol
Exact Mass328.95
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCc1sccc1Br
InChIInChI=1S/C12H12BrNOS2/c1-2-8-3-5-17-11(8)12(15)14-7-10-9(13)4-6-16-10/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyIZAVEQJPQVXXJN-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide
CID 107233687
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 113460610
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 78986100
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide
CID 107847427
N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 78986080
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
N-[(3-bromothiophen-2-yl)methyl]-3-methylbut-2-enamide
CID 78986047
3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 115598761

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide (CID 78985898) is N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is IZAVEQJPQVXXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS2/c1-2-8-3-5-17-11(8)12(15)14-7-10-9(13)4-6-16-10/h3-6H,2,7H2,1H3,(H,14,15).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 330.27 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 78985898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).