5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide

C12H11BrClNOS2 — CID 60646115

IUPAC5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrClNOS2/c1-2-15(7-8-3-6-11(14)17-8)12(16)9-4-5-10(13)18-9/h3-6H,2,7H2,1H3
InChIKeyLJLKJWIDIADKKC-UHFFFAOYSA-N
MW364.72 g/mol
LogP4.89
Rot. Bonds4

About 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide

5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide (PubChem CID 60646115) has the molecular formula C12H11BrClNOS2 and a molecular weight of 364.72 g/mol. Its IUPAC name is 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
PubChem CID60646115
Molecular FormulaC12H11BrClNOS2
Molecular Weight364.72 g/mol
Exact Mass362.92
IUPAC Name5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrClNOS2/c1-2-15(7-8-3-6-11(14)17-8)12(16)9-4-5-10(13)18-9/h3-6H,2,7H2,1H3
InChIKeyLJLKJWIDIADKKC-UHFFFAOYSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.72
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 60653697
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 26708054
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-ethylpyridine-2-carboxamide
CID 62233456
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide
CID 60955577
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-N-ethyl-4-iodobenzamide
CID 103221617
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
CID 60654918
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylthiophene-2-carboxamide
CID 30480240

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide (CID 60646115) is 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide?
The InChIKey is LJLKJWIDIADKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNOS2/c1-2-15(7-8-3-6-11(14)17-8)12(16)9-4-5-10(13)18-9/h3-6H,2,7H2,1H3.
What are the key properties of 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide?
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide has a molecular weight of 364.72 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 60646115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).