2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide

C15H16ClNO3S2 — CID 78793964

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H16ClNO3S2/c1-2-17(12-6-4-3-5-7-12)15(18)11-22(19,20)10-13-8-9-14(16)21-13/h3-9H,2,10-11H2,1H3
InChIKeyZPTGKCQQEYBOEX-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.37
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide

2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide (PubChem CID 78793964) has the molecular formula C15H16ClNO3S2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide
PubChem CID78793964
Molecular FormulaC15H16ClNO3S2
Molecular Weight357.88 g/mol
Exact Mass357.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H16ClNO3S2/c1-2-17(12-6-4-3-5-7-12)15(18)11-22(19,20)10-13-8-9-14(16)21-13/h3-9H,2,10-11H2,1H3
InChIKeyZPTGKCQQEYBOEX-UHFFFAOYSA-N
XLogP3.37
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide (CID 78793964) is 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide is CCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide?
The InChIKey is ZPTGKCQQEYBOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S2/c1-2-17(12-6-4-3-5-7-12)15(18)11-22(19,20)10-13-8-9-14(16)21-13/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide?
2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide has a molecular weight of 357.88 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 78793964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).