2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide

C12H17ClN2O2S — CID 86780824

IUPAC2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CNCC1NC(=O)C(C)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-7(10-3-4-11(13)18-10)12(16)15-8-5-14-6-9(8)17-2/h3-4,7-9,14H,5-6H2,1-2H3,(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyAHFLTGLJBDZNJA-HACHORDNSA-N
MW288.80 g/mol
LogP1.61
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide

2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide (PubChem CID 86780824) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
PubChem CID86780824
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CNCC1NC(=O)C(C)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-7(10-3-4-11(13)18-10)12(16)15-8-5-14-6-9(8)17-2/h3-4,7-9,14H,5-6H2,1-2H3,(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyAHFLTGLJBDZNJA-HACHORDNSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide
CID 99852420
2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120947097
N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide
CID 119609976
2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594211
2-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120889060
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide
CID 43593968
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
CID 74884463
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide
CID 43594044
2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide
CID 43593952

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide (CID 86780824) is 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide is CO[C@H]1CNCC1NC(=O)C(C)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide?
The InChIKey is AHFLTGLJBDZNJA-HACHORDNSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-7(10-3-4-11(13)18-10)12(16)15-8-5-14-6-9(8)17-2/h3-4,7-9,14H,5-6H2,1-2H3,(H,15,16)/t7?,8?,9-/m0/s1.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide?
2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide has a molecular weight of 288.80 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide is sourced from PubChem (CID 86780824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).