5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide

C15H24BrNOS — CID 63525816

IUPAC5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1csc(Br)c1
InChIInChI=1S/C15H24BrNOS/c1-11(2)5-7-17(8-6-12(3)4)15(18)13-9-14(16)19-10-13/h9-12H,5-8H2,1-4H3
InChIKeyIWSMKLAKMLRJPK-UHFFFAOYSA-N
MW346.33 g/mol
LogP5.05
Rot. Bonds7

About 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide

5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide (PubChem CID 63525816) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide
PubChem CID63525816
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1csc(Br)c1
InChIInChI=1S/C15H24BrNOS/c1-11(2)5-7-17(8-6-12(3)4)15(18)13-9-14(16)19-10-13/h9-12H,5-8H2,1-4H3
InChIKeyIWSMKLAKMLRJPK-UHFFFAOYSA-N
XLogP5.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
CID 107966303
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 115771703
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 43424494
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 107961794
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-ethylthiophene-3-carboxamide
CID 107961729
5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 114263702
5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
CID 63958500
2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
CID 114371455
ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
CID 61013447
5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 60653063
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromo-N-methylthiophene-3-carboxamide
CID 107961791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide (CID 63525816) is 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide?
The InChIKey is IWSMKLAKMLRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-11(2)5-7-17(8-6-12(3)4)15(18)13-9-14(16)19-10-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide?
5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide is sourced from PubChem (CID 63525816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).