5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide

C12H17ClN2O2S — CID 91764959

IUPAC5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCCN1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](OC)C1
InChIInChI=1S/C12H17ClN2O2S/c1-3-15-6-8(9(7-15)17-2)14-12(16)10-4-5-11(13)18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1
InChIKeyVOUQUTFFERBVHY-IUCAKERBSA-N
MW288.80 g/mol
LogP1.85
Rot. Bonds4

About 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide

5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 91764959) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID91764959
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCCN1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](OC)C1
InChIInChI=1S/C12H17ClN2O2S/c1-3-15-6-8(9(7-15)17-2)14-12(16)10-4-5-11(13)18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1
InChIKeyVOUQUTFFERBVHY-IUCAKERBSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
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CID 2970308
5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 6602903
5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2712625
5-Chloro-N-(((S)-oxiran-2-yl)methyl)thiophene-2-carboxamide
CID 53235992
5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 45236630
5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide
CID 71789241
4-(5-Chlorothiophene-2-carbonyl)-3-methylpiperazin-2-one
CID 44116482
5-chloro-N-(2-hydroxy-3-(2-oxopyridin-1(2H)-yl)propyl)thiophene-2-carboxamide
CID 76150354
3-{4-[(5-Chloro-2-thienyl)carbonyl]-1,4-diazepan-1-yl}-1-(2-methoxyethyl)-2-pyrrolidinone
CID 87054819
5-Chloro-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}thiophene-2-carboxamide
CID 91911006
3-[4-(5-Chlorothiophene-2-carbonyl)piperazin-1-YL]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91925728

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide (CID 91764959) is 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide is CCN1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](OC)C1.
What is the InChIKey of 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is VOUQUTFFERBVHY-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-3-15-6-8(9(7-15)17-2)14-12(16)10-4-5-11(13)18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1.
What are the key properties of 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide?
5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 288.80 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91764959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).