N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide

C11H15Cl2NOS — CID 107867609

IUPACN-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide
SMILESCCC(CCl)(CCl)NC(=O)Cc1cccs1
InChIInChI=1S/C11H15Cl2NOS/c1-2-11(7-12,8-13)14-10(15)6-9-4-3-5-16-9/h3-5H,2,6-8H2,1H3,(H,14,15)
InChIKeyVCRMIDOCHHHYBC-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.03
Rot. Bonds6

About N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide

N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 107867609) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide
PubChem CID107867609
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide
SMILESCCC(CCl)(CCl)NC(=O)Cc1cccs1
InChIInChI=1S/C11H15Cl2NOS/c1-2-11(7-12,8-13)14-10(15)6-9-4-3-5-16-9/h3-5H,2,6-8H2,1H3,(H,14,15)
InChIKeyVCRMIDOCHHHYBC-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.03
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-[1-chloro-2-(chloromethyl)butan-2-yl]-2-(2-chlorophenyl)acetamide
CID 114010841
2-methyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 110475965
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
CID 57169097
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-(1-aminooxy-2-methylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 39247410
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
CID 113331524
N-(2-pyridin-4-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 110870392
N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
CID 106255533
N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide
CID 89224368

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide (CID 107867609) is N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide is CCC(CCl)(CCl)NC(=O)Cc1cccs1.
What is the InChIKey of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is VCRMIDOCHHHYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-2-11(7-12,8-13)14-10(15)6-9-4-3-5-16-9/h3-5H,2,6-8H2,1H3,(H,14,15).
What are the key properties of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide?
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 280.22 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 107867609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).