2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C18H22N4O2S — CID 120761760

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESN[C@@H]1CN(CC(=O)NC(=O)NCc2cccs2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O2S/c19-16-11-22(10-15(16)13-5-2-1-3-6-13)12-17(23)21-18(24)20-9-14-7-4-8-25-14/h1-8,15-16H,9-12,19H2,(H2,20,21,23,24)/t15-,16+/m0/s1
InChIKeyFCTBVEVCFQLHAE-JKSUJKDBSA-N
MW358.47 g/mol
LogP1.50
Rot. Bonds5

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 120761760) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID120761760
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESN[C@@H]1CN(CC(=O)NC(=O)NCc2cccs2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O2S/c19-16-11-22(10-15(16)13-5-2-1-3-6-13)12-17(23)21-18(24)20-9-14-7-4-8-25-14/h1-8,15-16H,9-12,19H2,(H2,20,21,23,24)/t15-,16+/m0/s1
InChIKeyFCTBVEVCFQLHAE-JKSUJKDBSA-N
XLogP1.50
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 120761249
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120761248
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 120760678
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide;hydrochloride
CID 120760372
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 120761521
ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
CID 9431083
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 120761771
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-prop-2-enylacetamide;hydrochloride
CID 120762190
4-oxo-4-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 43363851

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 120761760) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is N[C@@H]1CN(CC(=O)NC(=O)NCc2cccs2)C[C@H]1c1ccccc1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is FCTBVEVCFQLHAE-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H22N4O2S/c19-16-11-22(10-15(16)13-5-2-1-3-6-13)12-17(23)21-18(24)20-9-14-7-4-8-25-14/h1-8,15-16H,9-12,19H2,(H2,20,21,23,24)/t15-,16+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 120761760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).