N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide

C15H15NO4S2 — CID 44615102

IUPACN-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide
SMILESCC(=O)NC(C(=O)c1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO4S2/c1-10-5-7-12(8-6-10)22(19,20)15(16-11(2)17)14(18)13-4-3-9-21-13/h3-9,15H,1-2H3,(H,16,17)
InChIKeyTYUURNXJWVPICH-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.18
Rot. Bonds5

About N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide

N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide (PubChem CID 44615102) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide
PubChem CID44615102
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC NameN-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide
SMILESCC(=O)NC(C(=O)c1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO4S2/c1-10-5-7-12(8-6-10)22(19,20)15(16-11(2)17)14(18)13-4-3-9-21-13/h3-9,15H,1-2H3,(H,16,17)
InChIKeyTYUURNXJWVPICH-UHFFFAOYSA-N
XLogP2.18
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide
CID 34360301
N-[(1S)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]thiophene-2-carboxamide
CID 98173582
N-[(1S)-1-(benzenesulfonyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 51857974
N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 35180599
ethyl 2-acetamido-3-oxo-3-thiophen-2-ylpropanoate
CID 139836661
N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 98173415
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210463
N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 51857965
(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
CID 93492517
N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide
CID 165362140
benzyl N-[(4-methylphenyl)sulfonyl-thiophen-2-ylmethyl]carbamate
CID 25107614
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide (CID 44615102) is N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide is CC(=O)NC(C(=O)c1cccs1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide?
The InChIKey is TYUURNXJWVPICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-10-5-7-12(8-6-10)22(19,20)15(16-11(2)17)14(18)13-4-3-9-21-13/h3-9,15H,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide?
N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 44615102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).