3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide

C10H12Br2ClNOS — CID 103406130

IUPAC3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(C)(CBr)CBr)c1Cl
InChIInChI=1S/C10H12Br2ClNOS/c1-6-3-16-8(7(6)13)9(15)14-10(2,4-11)5-12/h3H,4-5H2,1-2H3,(H,14,15)
InChIKeyMZCSIMYQMCIWQR-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.99
Rot. Bonds4

About 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide

3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide (PubChem CID 103406130) has the molecular formula C10H12Br2ClNOS and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide
PubChem CID103406130
Molecular FormulaC10H12Br2ClNOS
Molecular Weight389.54 g/mol
Exact Mass386.87
IUPAC Name3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(C)(CBr)CBr)c1Cl
InChIInChI=1S/C10H12Br2ClNOS/c1-6-3-16-8(7(6)13)9(15)14-10(2,4-11)5-12/h3H,4-5H2,1-2H3,(H,14,15)
InChIKeyMZCSIMYQMCIWQR-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.99
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

3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 103400169
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104
N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106184622
N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406064
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
CID 103402961
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
N-[3-(bromomethyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406036
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107878

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide (CID 103406130) is 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NC(C)(CBr)CBr)c1Cl.
What is the InChIKey of 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is MZCSIMYQMCIWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2ClNOS/c1-6-3-16-8(7(6)13)9(15)14-10(2,4-11)5-12/h3H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide?
3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103406130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).