N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide

C14H15NO3S2 — CID 177465395

IUPACN-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide
SMILESCC(=O)N[C@H](CS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NO3S2/c1-11(16)15-13(14-8-5-9-19-14)10-20(17,18)12-6-3-2-4-7-12/h2-9,13H,10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyXHDJKFKGUFXQHN-CYBMUJFWSA-N
MW309.41 g/mol
LogP2.40
Rot. Bonds5

About N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide

N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide (PubChem CID 177465395) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide
PubChem CID177465395
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC NameN-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide
SMILESCC(=O)N[C@H](CS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NO3S2/c1-11(16)15-13(14-8-5-9-19-14)10-20(17,18)12-6-3-2-4-7-12/h2-9,13H,10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyXHDJKFKGUFXQHN-CYBMUJFWSA-N
XLogP2.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
CID 55985097
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate
CID 112723428
methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
CID 60715441
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
(3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide
CID 94190927
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 29418275
(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
CID 94830635
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide (CID 177465395) is N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide is CC(=O)N[C@H](CS(=O)(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is XHDJKFKGUFXQHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-11(16)15-13(14-8-5-9-19-14)10-20(17,18)12-6-3-2-4-7-12/h2-9,13H,10H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide?
N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 177465395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).