N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide

C10H14BrNOS — CID 131015402

IUPACN-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NC(C)CBr)c1C
InChIInChI=1S/C10H14BrNOS/c1-6(4-11)12-10(13)9-5-14-8(3)7(9)2/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyQOIKFBZAAPQPAH-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.88
Rot. Bonds3

About N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide

N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 131015402) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide
PubChem CID131015402
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NC(C)CBr)c1C
InChIInChI=1S/C10H14BrNOS/c1-6(4-11)12-10(13)9-5-14-8(3)7(9)2/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyQOIKFBZAAPQPAH-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.88
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

N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide
CID 17217413
2-[(4,5-dimethylthiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 84557828
N-(1-bromopropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114310766
N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide
CID 84557984
N-(1-bromopropan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114310722
4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide
CID 84558066
N-(1-bromopropan-2-yl)-3,5-dimethylbenzamide
CID 114310754
N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide
CID 126977624
N-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
1-[(4,5-dimethylthiophene-3-carbonyl)amino]-1-(2-methylpropyl)thiourea
CID 22301209
N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106503155

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide (CID 131015402) is N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide is Cc1scc(C(=O)NC(C)CBr)c1C.
What is the InChIKey of N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is QOIKFBZAAPQPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-6(4-11)12-10(13)9-5-14-8(3)7(9)2/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide?
N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 276.20 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 131015402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).