N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide

C16H19NOS2 — CID 38917364

IUPACN-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
SMILESCSc1ccc([C@H](C)NC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C16H19NOS2/c1-12(14-4-6-15(19-2)7-5-14)17-16(18)8-3-13-9-10-20-11-13/h4-7,9-12H,3,8H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyDWEHVTZVFZTOTJ-LBPRGKRZSA-N
MW305.47 g/mol
LogP4.28
Rot. Bonds6

About N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide

N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide (PubChem CID 38917364) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
PubChem CID38917364
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC NameN-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
SMILESCSc1ccc([C@H](C)NC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C16H19NOS2/c1-12(14-4-6-15(19-2)7-5-14)17-16(18)8-3-13-9-10-20-11-13/h4-7,9-12H,3,8H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyDWEHVTZVFZTOTJ-LBPRGKRZSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 46440747
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
6-[1-(4-methylsulfanylphenyl)ethylamino]-6-oxohexanoic acid
CID 60942052
3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 34476835
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556860
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 28557494

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide (CID 38917364) is N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide is CSc1ccc([C@H](C)NC(=O)CCc2ccsc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is DWEHVTZVFZTOTJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NOS2/c1-12(14-4-6-15(19-2)7-5-14)17-16(18)8-3-13-9-10-20-11-13/h4-7,9-12H,3,8H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide?
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 305.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 38917364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).