N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide

C11H16ClNOS — CID 166407428

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide
SMILESCC(C)(C)c1ccc(CNC(=O)CCl)s1
InChIInChI=1S/C11H16ClNOS/c1-11(2,3)9-5-4-8(15-9)7-13-10(14)6-12/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyXDBVTBNFGIBUDV-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.90
Rot. Bonds3

About N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide

N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide (PubChem CID 166407428) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide
PubChem CID166407428
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide
SMILESCC(C)(C)c1ccc(CNC(=O)CCl)s1
InChIInChI=1S/C11H16ClNOS/c1-11(2,3)9-5-4-8(15-9)7-13-10(14)6-12/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyXDBVTBNFGIBUDV-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.90
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

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81498910
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
CID 81495461
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81494861
3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide
CID 81498912
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide
CID 81495688
N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 166250263
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
CID 115162258
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115742089
N-[(5-tert-butylthiophen-2-yl)methyl]aniline
CID 58624276
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
tert-butyl 2-[(5-tert-butylthiophen-2-yl)methylamino]acetate;carbon dioxide
CID 160927254

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide (CID 166407428) is N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide is CC(C)(C)c1ccc(CNC(=O)CCl)s1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide?
The InChIKey is XDBVTBNFGIBUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-11(2,3)9-5-4-8(15-9)7-13-10(14)6-12/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide?
N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide has a molecular weight of 245.77 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide is sourced from PubChem (CID 166407428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).