N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide

C15H12BrNOS2 — CID 112732660

IUPACN-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cc2sccc2s1
InChIInChI=1S/C15H12BrNOS2/c1-17(9-10-2-4-11(16)5-3-10)15(18)14-8-13-12(20-14)6-7-19-13/h2-8H,9H2,1H3
InChIKeyNRBXVYRJZJIELQ-UHFFFAOYSA-N
MW366.31 g/mol
LogP5.00
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide

N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 112732660) has the molecular formula C15H12BrNOS2 and a molecular weight of 366.31 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID112732660
Molecular FormulaC15H12BrNOS2
Molecular Weight366.31 g/mol
Exact Mass364.95
IUPAC NameN-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cc2sccc2s1
InChIInChI=1S/C15H12BrNOS2/c1-17(9-10-2-4-11(16)5-3-10)15(18)14-8-13-12(20-14)6-7-19-13/h2-8H,9H2,1H3
InChIKeyNRBXVYRJZJIELQ-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

N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732717
2-methyl-3-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80733667
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 80744655
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80733761
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78967977
N-[(4-bromophenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 31145157
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]butanoic acid
CID 80734197
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617538

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide (CID 112732660) is N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1cc2sccc2s1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is NRBXVYRJZJIELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS2/c1-17(9-10-2-4-11(16)5-3-10)15(18)14-8-13-12(20-14)6-7-19-13/h2-8H,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide?
N-[(4-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-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 112732660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).