2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide

C9H9BrN2OS — CID 114327374

IUPAC2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1sccc1C#N
InChIInChI=1S/C9H9BrN2OS/c1-9(2,10)8(13)12-7-6(5-11)3-4-14-7/h3-4H,1-2H3,(H,12,13)
InChIKeyQNXWVFLETCYLSS-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.73
Rot. Bonds2

About 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide

2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide (PubChem CID 114327374) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
PubChem CID114327374
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1sccc1C#N
InChIInChI=1S/C9H9BrN2OS/c1-9(2,10)8(13)12-7-6(5-11)3-4-14-7/h3-4H,1-2H3,(H,12,13)
InChIKeyQNXWVFLETCYLSS-UHFFFAOYSA-N
XLogP2.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
3-bromo-N-(3-cyanothiophen-2-yl)prop-2-ynamide
CID 131097695
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263781
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 66220996
N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide
CID 67411846
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide (CID 114327374) is 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide is CC(C)(Br)C(=O)Nc1sccc1C#N.
What is the InChIKey of 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide?
The InChIKey is QNXWVFLETCYLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-9(2,10)8(13)12-7-6(5-11)3-4-14-7/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide?
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide has a molecular weight of 273.16 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide is sourced from PubChem (CID 114327374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).