N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide

C10H15NO4S2 — CID 126805923

IUPACN-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide
SMILESCOC(C)CS(=O)(=O)Nc1sccc1C(C)=O
InChIInChI=1S/C10H15NO4S2/c1-7(15-3)6-17(13,14)11-10-9(8(2)12)4-5-16-10/h4-5,7,11H,6H2,1-3H3
InChIKeyODNMMGMQLZNOKK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.73
Rot. Bonds6

About N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide

N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide (PubChem CID 126805923) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide
PubChem CID126805923
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC NameN-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide
SMILESCOC(C)CS(=O)(=O)Nc1sccc1C(C)=O
InChIInChI=1S/C10H15NO4S2/c1-7(15-3)6-17(13,14)11-10-9(8(2)12)4-5-16-10/h4-5,7,11H,6H2,1-3H3
InChIKeyODNMMGMQLZNOKK-UHFFFAOYSA-N
XLogP1.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide?
The IUPAC name of N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide (CID 126805923) is N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide is COC(C)CS(=O)(=O)Nc1sccc1C(C)=O.
What is the InChIKey of N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide?
The InChIKey is ODNMMGMQLZNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-7(15-3)6-17(13,14)11-10-9(8(2)12)4-5-16-10/h4-5,7,11H,6H2,1-3H3.
What are the key properties of N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide?
N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide has a molecular weight of 277.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 126805923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).