2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide

C16H16Cl2N2O2S — CID 170895609

IUPAC2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide
SMILESCN(C)CC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CCl
InChIInChI=1S/C16H16Cl2N2O2S/c1-20(2)9-13(21)16-12(19-15(22)8-17)7-14(23-16)10-3-5-11(18)6-4-10/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyFZSSGUYFZCYDPH-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.99
Rot. Bonds6

About 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide

2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide (PubChem CID 170895609) has the molecular formula C16H16Cl2N2O2S and a molecular weight of 371.29 g/mol. Its IUPAC name is 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide
PubChem CID170895609
Molecular FormulaC16H16Cl2N2O2S
Molecular Weight371.29 g/mol
Exact Mass370.03
IUPAC Name2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide
SMILESCN(C)CC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CCl
InChIInChI=1S/C16H16Cl2N2O2S/c1-20(2)9-13(21)16-12(19-15(22)8-17)7-14(23-16)10-3-5-11(18)6-4-10/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyFZSSGUYFZCYDPH-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 2807903
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carboxylic acid
CID 118486195
ethyl 5-(4-chlorophenyl)-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 8896453
5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 2757211
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid
CID 173065142
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
ethyl 5-(4-chlorophenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiophene-2-carboxylate
CID 55574727
5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
CID 58328185
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide (CID 170895609) is 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide is CN(C)CC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide?
The InChIKey is FZSSGUYFZCYDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2S/c1-20(2)9-13(21)16-12(19-15(22)8-17)7-14(23-16)10-3-5-11(18)6-4-10/h3-7H,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide?
2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide has a molecular weight of 371.29 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 170895609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).