N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide

C12H18BrNOS — CID 107156721

IUPACN-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
SMILESCC(C)(C)CC(Br)CNC(=O)c1cccs1
InChIInChI=1S/C12H18BrNOS/c1-12(2,3)7-9(13)8-14-11(15)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyUDNUZAKLQNPIJQ-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.68
Rot. Bonds4

About N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide

N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide (PubChem CID 107156721) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
PubChem CID107156721
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
SMILESCC(C)(C)CC(Br)CNC(=O)c1cccs1
InChIInChI=1S/C12H18BrNOS/c1-12(2,3)7-9(13)8-14-11(15)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyUDNUZAKLQNPIJQ-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245
N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
CID 14552701
N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126
N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 39698381
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-(2-amino-2-cyclopropylethyl)thiophene-2-carboxamide
CID 115301080

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide (CID 107156721) is N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide is CC(C)(C)CC(Br)CNC(=O)c1cccs1.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide?
The InChIKey is UDNUZAKLQNPIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-12(2,3)7-9(13)8-14-11(15)10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide?
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide has a molecular weight of 304.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide is sourced from PubChem (CID 107156721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).