N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide

C13H18ClNO2S — CID 51938197

IUPACN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESC[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO2S/c1-9(11-5-6-12(14)18-11)15-13(16)7-4-10-3-2-8-17-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)/t9-,10+/m0/s1
InChIKeyGFHZMNAHFBXZJL-VHSXEESVSA-N
MW287.81 g/mol
LogP3.54
Rot. Bonds5

About N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 51938197) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID51938197
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESC[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO2S/c1-9(11-5-6-12(14)18-11)15-13(16)7-4-10-3-2-8-17-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)/t9-,10+/m0/s1
InChIKeyGFHZMNAHFBXZJL-VHSXEESVSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983947
5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride
CID 65157446
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 71856408
(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide
CID 94114407
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
2-[3-chloro-3-(5-chlorothiophen-2-yl)propyl]oxane
CID 63950981
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
3-(oxolan-2-yl)-N-(1-piperidin-4-ylethyl)propanamide
CID 65154890
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide (CID 51938197) is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide is C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(Cl)s1.
What is the InChIKey of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is GFHZMNAHFBXZJL-VHSXEESVSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-9(11-5-6-12(14)18-11)15-13(16)7-4-10-3-2-8-17-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)/t9-,10+/m0/s1.
What are the key properties of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 287.81 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 51938197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).