N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide

C16H19NO3S2 — CID 75382281

IUPACN-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)NC(CS(C)(=O)=O)c1ccccc1)c1ccsc1
InChIInChI=1S/C16H19NO3S2/c1-12(14-8-9-21-10-14)16(18)17-15(11-22(2,19)20)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,17,18)
InChIKeyYTOUNLLJGRJXNR-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.75
Rot. Bonds6

About N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide

N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide (PubChem CID 75382281) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide
PubChem CID75382281
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)NC(CS(C)(=O)=O)c1ccccc1)c1ccsc1
InChIInChI=1S/C16H19NO3S2/c1-12(14-8-9-21-10-14)16(18)17-15(11-22(2,19)20)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,17,18)
InChIKeyYTOUNLLJGRJXNR-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-3-(2-thiophen-3-ylpropanoylamino)propanoic acid
CID 75513225
(2S,3S)-3-methyl-2-(2-thiophen-3-ylpropanoylamino)pentanoic acid
CID 91644897
(2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide
CID 95786472
(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 97215274
(2R)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 124856624
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide
CID 97000970
3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 80552244
(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
4-methyl-2-[(2-thiophen-3-ylpropanoylamino)methyl]pentanoic acid
CID 119253075

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide (CID 75382281) is N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide is CC(C(=O)NC(CS(C)(=O)=O)c1ccccc1)c1ccsc1.
What is the InChIKey of N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide?
The InChIKey is YTOUNLLJGRJXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-12(14-8-9-21-10-14)16(18)17-15(11-22(2,19)20)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide?
N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide has a molecular weight of 337.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 75382281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).