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

C11H15Cl2NOS — CID 103406176

IUPAC3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(C)C(C)(C)CCl)c1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-7-5-16-9(8(7)13)10(15)14(4)11(2,3)6-12/h5H,6H2,1-4H3
InChIKeyAXBDEWBDPCOELG-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.80
Rot. Bonds3

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

3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide (PubChem CID 103406176) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is 3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
PubChem CID103406176
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC Name3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(C)C(C)(C)CCl)c1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-7-5-16-9(8(7)13)10(15)14(4)11(2,3)6-12/h5H,6H2,1-4H3
InChIKeyAXBDEWBDPCOELG-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
CID 103399966
3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide
CID 103406170
3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
CID 103403296
N-butyl-3-chloro-N-(2-chloroethyl)-4-methylthiophene-2-carboxamide
CID 103405838
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide
CID 103403343
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-3-chloro-N,4-dimethylthiophene-2-carboxamide
CID 103405004
methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate
CID 103403990
3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103406130
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 103400169
2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407561
N-(2-bromoethyl)-N-butyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405901

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide (CID 103406176) is 3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide is Cc1csc(C(=O)N(C)C(C)(C)CCl)c1Cl.
What is the InChIKey of 3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is AXBDEWBDPCOELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-7-5-16-9(8(7)13)10(15)14(4)11(2,3)6-12/h5H,6H2,1-4H3.
What are the key properties of 3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide?
3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 280.22 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103406176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).