N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide

C11H16ClNOS — CID 130581494

IUPACN-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide
SMILESCc1sccc1C(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C11H16ClNOS/c1-7-8(5-6-15-7)9(12)10(14)13-11(2,3)4/h5-6,9H,1-4H3,(H,13,14)
InChIKeySLDULTQLMTZTIQ-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.25
Rot. Bonds2

About N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide

N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide (PubChem CID 130581494) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide
PubChem CID130581494
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC NameN-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide
SMILESCc1sccc1C(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C11H16ClNOS/c1-7-8(5-6-15-7)9(12)10(14)13-11(2,3)4/h5-6,9H,1-4H3,(H,13,14)
InChIKeySLDULTQLMTZTIQ-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.25
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-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
CID 62224063
N-tert-butyl-2-chloro-2-(1,3-dimethylpyrazol-4-yl)acetamide
CID 83095047
2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide
CID 62226278
2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide
CID 62224603
2-(2-bromo-5-methoxyphenyl)-N-tert-butyl-2-chloroacetamide
CID 114078030
N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide
CID 55047578
2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide
CID 131062624
3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 130581546
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
CID 115960338
1-(2-methylthiophen-3-yl)propane-1,2,3-triol
CID 170817278
2-methoxy-N,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833225
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8998513

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide?
The IUPAC name of N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide (CID 130581494) is N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide is Cc1sccc1C(Cl)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide?
The InChIKey is SLDULTQLMTZTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-7-8(5-6-15-7)9(12)10(14)13-11(2,3)4/h5-6,9H,1-4H3,(H,13,14).
What are the key properties of N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide?
N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide has a molecular weight of 245.78 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide is sourced from PubChem (CID 130581494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).