N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide

C11H9BrClNOS2 — CID 103401936

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(Br)s2)c1Cl
InChIInChI=1S/C11H9BrClNOS2/c1-6-5-16-10(9(6)13)11(15)14-4-7-2-3-8(12)17-7/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyZHZKKNMTLKNAFY-UHFFFAOYSA-N
MW350.69 g/mol
LogP4.46
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103401936) has the molecular formula C11H9BrClNOS2 and a molecular weight of 350.69 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103401936
Molecular FormulaC11H9BrClNOS2
Molecular Weight350.69 g/mol
Exact Mass348.90
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(Br)s2)c1Cl
InChIInChI=1S/C11H9BrClNOS2/c1-6-5-16-10(9(6)13)11(15)14-4-7-2-3-8(12)17-7/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyZHZKKNMTLKNAFY-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.69
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404202
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 65307761
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
2-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 103400121
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107030605
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide (CID 103401936) is N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCc2ccc(Br)s2)c1Cl.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is ZHZKKNMTLKNAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNOS2/c1-6-5-16-10(9(6)13)11(15)14-4-7-2-3-8(12)17-7/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 350.69 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).