3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide

C17H21NO4S2 — CID 90598422

IUPAC3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCOC(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccc(C)s1
InChIInChI=1S/C17H21NO4S2/c1-13-8-9-16(23-13)15(22-2)12-18-17(19)10-11-24(20,21)14-6-4-3-5-7-14/h3-9,15H,10-12H2,1-2H3,(H,18,19)
InChIKeyLVSHPRAXESKBJK-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.72
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide

3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide (PubChem CID 90598422) has the molecular formula C17H21NO4S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide
PubChem CID90598422
Molecular FormulaC17H21NO4S2
Molecular Weight367.49 g/mol
Exact Mass367.09
IUPAC Name3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCOC(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccc(C)s1
InChIInChI=1S/C17H21NO4S2/c1-13-8-9-16(23-13)15(22-2)12-18-17(19)10-11-24(20,21)14-6-4-3-5-7-14/h3-9,15H,10-12H2,1-2H3,(H,18,19)
InChIKeyLVSHPRAXESKBJK-UHFFFAOYSA-N
XLogP2.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide (CID 90598422) is 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide is COC(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccc(C)s1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide?
The InChIKey is LVSHPRAXESKBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S2/c1-13-8-9-16(23-13)15(22-2)12-18-17(19)10-11-24(20,21)14-6-4-3-5-7-14/h3-9,15H,10-12H2,1-2H3,(H,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide?
3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 90598422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).