(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide

C17H19N3O2S — CID 94452155

IUPAC(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C17H19N3O2S/c18-17(22)19-16(21)15(12-5-2-1-3-6-12)20-9-4-7-14(20)13-8-10-23-11-13/h1-3,5-6,8,10-11,14-15H,4,7,9H2,(H3,18,19,21,22)/t14-,15+/m1/s1
InChIKeyYJVWHLLNKPGNAO-CABCVRRESA-N
MW329.43 g/mol
LogP2.82
Rot. Bonds4

About (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide

(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (PubChem CID 94452155) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
PubChem CID94452155
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C17H19N3O2S/c18-17(22)19-16(21)15(12-5-2-1-3-6-12)20-9-4-7-14(20)13-8-10-23-11-13/h1-3,5-6,8,10-11,14-15H,4,7,9H2,(H3,18,19,21,22)/t14-,15+/m1/s1
InChIKeyYJVWHLLNKPGNAO-CABCVRRESA-N
XLogP2.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452171
(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124860071
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 124838744
(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975064
(2S)-N-carbamoyl-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975060
methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
CID 102206721
(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51730149
N-carbamoyl-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 46643095
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (CID 94452155) is (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide is NC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The InChIKey is YJVWHLLNKPGNAO-CABCVRRESA-N. The full InChI is InChI=1S/C17H19N3O2S/c18-17(22)19-16(21)15(12-5-2-1-3-6-12)20-9-4-7-14(20)13-8-10-23-11-13/h1-3,5-6,8,10-11,14-15H,4,7,9H2,(H3,18,19,21,22)/t14-,15+/m1/s1.
What are the key properties of (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 94452155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).