2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

C9H12ClNOS — CID 166403146

IUPAC2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CCl)s1
InChIInChI=1S/C9H12ClNOS/c1-7-3-4-8(13-7)6-11(2)9(12)5-10/h3-4H,5-6H2,1-2H3
InChIKeySLIQPALNYGYDCE-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.25
Rot. Bonds3

About 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 166403146) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID166403146
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CCl)s1
InChIInChI=1S/C9H12ClNOS/c1-7-3-4-8(13-7)6-11(2)9(12)5-10/h3-4H,5-6H2,1-2H3
InChIKeySLIQPALNYGYDCE-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.25
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

3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 119773776
7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
CID 119773733
3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 120610443
N,N-dimethyl-2-(5-methylthiophen-2-yl)acetamide
CID 127015462
1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
CID 119317853
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
1-chloro-5-(5-methylthiophen-2-yl)pentan-2-one
CID 122630077
1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine
CID 164660676
2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid
CID 115729823
N-ethyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 139526737
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
(2R)-2-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-phenylpropanamide
CID 97324897

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 166403146) is 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CCl)s1.
What is the InChIKey of 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is SLIQPALNYGYDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-7-3-4-8(13-7)6-11(2)9(12)5-10/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 217.72 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 166403146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).