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

C16H19NO3S2 — CID 22581583

IUPACN-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide
SMILESCCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19NO3S2/c1-3-16(18)17-11-15(14-5-4-10-21-14)22(19,20)13-8-6-12(2)7-9-13/h4-10,15H,3,11H2,1-2H3,(H,17,18)
InChIKeyJAULFXWXIGVJHX-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.10
Rot. Bonds6

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

N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide (PubChem CID 22581583) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide
PubChem CID22581583
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide
SMILESCCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19NO3S2/c1-3-16(18)17-11-15(14-5-4-10-21-14)22(19,20)13-8-6-12(2)7-9-13/h4-10,15H,3,11H2,1-2H3,(H,17,18)
InChIKeyJAULFXWXIGVJHX-UHFFFAOYSA-N
XLogP3.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide (CID 22581583) is N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide is CCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide?
The InChIKey is JAULFXWXIGVJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-3-16(18)17-11-15(14-5-4-10-21-14)22(19,20)13-8-6-12(2)7-9-13/h4-10,15H,3,11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide?
N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide has a molecular weight of 337.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 22581583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).