5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide

C11H15BrClNOS — CID 79996781

IUPAC5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(CCCl)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H15BrClNOS/c1-3-5-14(6-4-13)11(15)9-7-8(2)10(12)16-9/h7H,3-6H2,1-2H3
InChIKeyZBYJBRAQXSOWNW-UHFFFAOYSA-N
MW324.67 g/mol
LogP3.91
Rot. Bonds5

About 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide

5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide (PubChem CID 79996781) has the molecular formula C11H15BrClNOS and a molecular weight of 324.67 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide
PubChem CID79996781
Molecular FormulaC11H15BrClNOS
Molecular Weight324.67 g/mol
Exact Mass322.97
IUPAC Name5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(CCCl)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H15BrClNOS/c1-3-5-14(6-4-13)11(15)9-7-8(2)10(12)16-9/h7H,3-6H2,1-2H3
InChIKeyZBYJBRAQXSOWNW-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.67
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide
CID 79990343
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide
CID 79929208
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide
CID 79996289
methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 79987712
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
4,5-dibromo-N-[(4-methylphenyl)methyl]-N-propylthiophene-2-carboxamide
CID 78909790
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 78968180
N-benzyl-4,5-dibromo-N-(2-chloroethyl)thiophene-2-carboxamide
CID 80538131
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79964366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide (CID 79996781) is 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide is CCCN(CCCl)C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide?
The InChIKey is ZBYJBRAQXSOWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNOS/c1-3-5-14(6-4-13)11(15)9-7-8(2)10(12)16-9/h7H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide?
5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 324.67 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 79996781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).