N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide

C15H12BrNOS2 — CID 112732717

IUPACN-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc2sccc2s1
InChIInChI=1S/C15H12BrNOS2/c1-17(9-10-4-2-3-5-11(10)16)15(18)14-8-13-12(20-14)6-7-19-13/h2-8H,9H2,1H3
InChIKeyMJTGCQABCORLEF-UHFFFAOYSA-N
MW366.31 g/mol
LogP5.00
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide

N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 112732717) has the molecular formula C15H12BrNOS2 and a molecular weight of 366.31 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID112732717
Molecular FormulaC15H12BrNOS2
Molecular Weight366.31 g/mol
Exact Mass364.95
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc2sccc2s1
InChIInChI=1S/C15H12BrNOS2/c1-17(9-10-4-2-3-5-11(10)16)15(18)14-8-13-12(20-14)6-7-19-13/h2-8H,9H2,1H3
InChIKeyMJTGCQABCORLEF-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732660
N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 60630938
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945937
2-methyl-3-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80733667
N-[(2-bromophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 32812242
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80733761
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80738942

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide (CID 112732717) is N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide is CN(Cc1ccccc1Br)C(=O)c1cc2sccc2s1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is MJTGCQABCORLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS2/c1-17(9-10-4-2-3-5-11(10)16)15(18)14-8-13-12(20-14)6-7-19-13/h2-8H,9H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 366.31 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 112732717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).