N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide

C15H17NO4S2 — CID 4615671

IUPACN-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H17NO4S2/c1-20-13-5-2-4-12(10-13)11-16-14(17)7-9-22(18,19)15-6-3-8-21-15/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)
InChIKeyNKTGHBMRFYEIJM-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.24
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide

N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide (PubChem CID 4615671) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide
PubChem CID4615671
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H17NO4S2/c1-20-13-5-2-4-12(10-13)11-16-14(17)7-9-22(18,19)15-6-3-8-21-15/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)
InChIKeyNKTGHBMRFYEIJM-UHFFFAOYSA-N
XLogP2.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide (CID 4615671) is N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide is COc1cccc(CNC(=O)CCS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide?
The InChIKey is NKTGHBMRFYEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-20-13-5-2-4-12(10-13)11-16-14(17)7-9-22(18,19)15-6-3-8-21-15/h2-6,8,10H,7,9,11H2,1H3,(H,16,17).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide?
N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 4615671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).