N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide

C12H12BrNOS2 — CID 54984120

IUPACN-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C12H12BrNOS2/c1-8-3-4-16-11(8)12(15)14(2)6-9-5-10(13)17-7-9/h3-5,7H,6H2,1-2H3
InChIKeyBZXGYEABAGYNBC-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.15
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide (PubChem CID 54984120) has the molecular formula C12H12BrNOS2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
PubChem CID54984120
Molecular FormulaC12H12BrNOS2
Molecular Weight330.27 g/mol
Exact Mass328.95
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C12H12BrNOS2/c1-8-3-4-16-11(8)12(15)14(2)6-9-5-10(13)17-7-9/h3-5,7H,6H2,1-2H3
InChIKeyBZXGYEABAGYNBC-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945902
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(5-bromothiophen-3-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 61394516
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
CID 54983997

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide (CID 54984120) is N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is BZXGYEABAGYNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS2/c1-8-3-4-16-11(8)12(15)14(2)6-9-5-10(13)17-7-9/h3-5,7H,6H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 330.27 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 54984120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).