5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide

C20H25N3O3S — CID 30921699

IUPAC5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
SMILESCOCC(=O)N1CCC[C@H]1c1ccc(C(=O)N(C)CCc2ccccn2)s1
InChIInChI=1S/C20H25N3O3S/c1-22(13-10-15-6-3-4-11-21-15)20(25)18-9-8-17(27-18)16-7-5-12-23(16)19(24)14-26-2/h3-4,6,8-9,11,16H,5,7,10,12-14H2,1-2H3/t16-/m0/s1
InChIKeyULTVFXGJWCRSQU-INIZCTEOSA-N
MW387.51 g/mol
LogP2.77
Rot. Bonds7

About 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide

5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide (PubChem CID 30921699) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
PubChem CID30921699
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
SMILESCOCC(=O)N1CCC[C@H]1c1ccc(C(=O)N(C)CCc2ccccn2)s1
InChIInChI=1S/C20H25N3O3S/c1-22(13-10-15-6-3-4-11-21-15)20(25)18-9-8-17(27-18)16-7-5-12-23(16)19(24)14-26-2/h3-4,6,8-9,11,16H,5,7,10,12-14H2,1-2H3/t16-/m0/s1
InChIKeyULTVFXGJWCRSQU-INIZCTEOSA-N
XLogP2.77
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197404
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 29184528
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
[methyl(2-pyridin-2-ylethyl)carbamoyl]oxymethyl (2S)-1-(2-acetyloxyacetyl)pyrrolidine-2-carboxylate
CID 178172602
N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45191304
N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45206901
N-methyl-N-(2-pyridin-2-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 173146206
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 61075111
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95321611
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 134008677

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide (CID 30921699) is 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide is COCC(=O)N1CCC[C@H]1c1ccc(C(=O)N(C)CCc2ccccn2)s1.
What is the InChIKey of 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is ULTVFXGJWCRSQU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(13-10-15-6-3-4-11-21-15)20(25)18-9-8-17(27-18)16-7-5-12-23(16)19(24)14-26-2/h3-4,6,8-9,11,16H,5,7,10,12-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide?
5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 30921699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).