2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide

C15H18N2O3S2 — CID 3242962

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N2O3S2/c1-17(22(19,20)15-8-5-11-21-15)12-14(18)16-10-9-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H,16,18)
InChIKeySCXUOCVTDLWCTF-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.73
Rot. Bonds7

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 3242962) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID3242962
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N2O3S2/c1-17(22(19,20)15-8-5-11-21-15)12-14(18)16-10-9-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H,16,18)
InChIKeySCXUOCVTDLWCTF-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide (CID 3242962) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is SCXUOCVTDLWCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-17(22(19,20)15-8-5-11-21-15)12-14(18)16-10-9-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H,16,18).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3242962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).