2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide

C17H21NO3S2 — CID 22581584

IUPAC2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide
SMILESCc1ccc(S(=O)(=O)C(CNC(=O)C(C)C)c2cccs2)cc1
InChIInChI=1S/C17H21NO3S2/c1-12(2)17(19)18-11-16(15-5-4-10-22-15)23(20,21)14-8-6-13(3)7-9-14/h4-10,12,16H,11H2,1-3H3,(H,18,19)
InChIKeySKNLENISZORVSW-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.34
Rot. Bonds6

About 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide

2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide (PubChem CID 22581584) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide
PubChem CID22581584
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide
SMILESCc1ccc(S(=O)(=O)C(CNC(=O)C(C)C)c2cccs2)cc1
InChIInChI=1S/C17H21NO3S2/c1-12(2)17(19)18-11-16(15-5-4-10-22-15)23(20,21)14-8-6-13(3)7-9-14/h4-10,12,16H,11H2,1-3H3,(H,18,19)
InChIKeySKNLENISZORVSW-UHFFFAOYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide (CID 22581584) is 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide is Cc1ccc(S(=O)(=O)C(CNC(=O)C(C)C)c2cccs2)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide?
The InChIKey is SKNLENISZORVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-12(2)17(19)18-11-16(15-5-4-10-22-15)23(20,21)14-8-6-13(3)7-9-14/h4-10,12,16H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide?
2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 22581584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).