N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide

C15H17NO3S2 — CID 9181107

IUPACN-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESCC(=O)NC[C@H](c1ccc(C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO3S2/c1-11-5-7-13(8-6-11)14(10-16-12(2)17)21(18,19)15-4-3-9-20-15/h3-9,14H,10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyPVRFGMVTATURRJ-CQSZACIVSA-N
MW323.44 g/mol
LogP2.71
Rot. Bonds5

About N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide

N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide (PubChem CID 9181107) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
PubChem CID9181107
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESCC(=O)NC[C@H](c1ccc(C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO3S2/c1-11-5-7-13(8-6-11)14(10-16-12(2)17)21(18,19)15-4-3-9-20-15/h3-9,14H,10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyPVRFGMVTATURRJ-CQSZACIVSA-N
XLogP2.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
CID 9181718
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N'-propan-2-yloxamide
CID 9181738
3-methyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181313
N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9181764
3,4-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181348
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151748
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181381
(E)-3-(4-methylphenyl)-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]prop-2-enamide
CID 9180498
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]butane-1-sulfonamide
CID 9181104
2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9183001
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
CID 9182326

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide?
The IUPAC name of N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide (CID 9181107) is N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide.
What is the SMILES notation for N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide?
The canonical SMILES for N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide is CC(=O)NC[C@H](c1ccc(C)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide?
The InChIKey is PVRFGMVTATURRJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-11-5-7-13(8-6-11)14(10-16-12(2)17)21(18,19)15-4-3-9-20-15/h3-9,14H,10H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide?
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide is sourced from PubChem (CID 9181107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).