N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide

C15H14ClNO2S — CID 615593

IUPACN-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide
SMILESCc1sc(NC(=O)CCl)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C15H14ClNO2S/c1-9-10(2)20-15(17-12(18)8-16)13(9)14(19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyIBUCDUYBJWBWGK-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.77
Rot. Bonds4

About N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide

N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide (PubChem CID 615593) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide
PubChem CID615593
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide
SMILESCc1sc(NC(=O)CCl)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C15H14ClNO2S/c1-9-10(2)20-15(17-12(18)8-16)13(9)14(19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyIBUCDUYBJWBWGK-UHFFFAOYSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide?
The IUPAC name of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide (CID 615593) is N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide.
What is the SMILES notation for N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide?
The canonical SMILES for N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide is Cc1sc(NC(=O)CCl)c(C(=O)c2ccccc2)c1C.
What is the InChIKey of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide?
The InChIKey is IBUCDUYBJWBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-9-10(2)20-15(17-12(18)8-16)13(9)14(19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide?
N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide has a molecular weight of 307.80 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-chloroacetamide is sourced from PubChem (CID 615593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).