N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide

C10H13BrClNO2S — CID 106184622

IUPACN-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCOCC(CBr)NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C10H13BrClNO2S/c1-6-5-16-9(8(6)12)10(14)13-7(3-11)4-15-2/h5,7H,3-4H2,1-2H3,(H,13,14)
InChIKeyGANKKEUMCZTIHD-UHFFFAOYSA-N
MW326.64 g/mol
LogP2.85
Rot. Bonds5

About N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide

N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 106184622) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID106184622
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCOCC(CBr)NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C10H13BrClNO2S/c1-6-5-16-9(8(6)12)10(14)13-7(3-11)4-15-2/h5,7H,3-4H2,1-2H3,(H,13,14)
InChIKeyGANKKEUMCZTIHD-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 52.85
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-(1-bromo-3-methoxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 106184353
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104
3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103401856
N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
CID 103402961
N-(1-bromo-3-methoxypropan-2-yl)-4-chloro-2-methylbenzamide
CID 106184919
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103406130
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 103400274
3-chloro-N-(1-cyanoethyl)-4-methylthiophene-2-carboxamide
CID 103401616
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide (CID 106184622) is N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide is COCC(CBr)NC(=O)c1scc(C)c1Cl.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is GANKKEUMCZTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-6-5-16-9(8(6)12)10(14)13-7(3-11)4-15-2/h5,7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 326.64 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 106184622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).