2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

C19H23N3O2S — CID 97285978

IUPAC2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CN2C[C@@H](Cc3ccccc3)CC2=O)cs1
InChIInChI=1S/C19H23N3O2S/c1-14-20-17(13-25-14)11-21(2)19(24)12-22-10-16(9-18(22)23)8-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3/t16-/m0/s1
InChIKeyGUMOKEGGPZQQQW-INIZCTEOSA-N
MW357.48 g/mol
LogP2.50
Rot. Bonds6

About 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 97285978) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID97285978
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CN2C[C@@H](Cc3ccccc3)CC2=O)cs1
InChIInChI=1S/C19H23N3O2S/c1-14-20-17(13-25-14)11-21(2)19(24)12-22-10-16(9-18(22)23)8-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3/t16-/m0/s1
InChIKeyGUMOKEGGPZQQQW-INIZCTEOSA-N
XLogP2.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide
CID 72925762
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 72901682
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 97279676
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 97280098
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72861028
2-[(4R)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 97280005
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-(3-cyclopentylpropyl)-N-methylacetamide
CID 97273461
1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325341
N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 56882158
2-(3-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718186
ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate
CID 72901081
1-benzyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 86855477

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 97285978) is 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)CN2C[C@@H](Cc3ccccc3)CC2=O)cs1.
What is the InChIKey of 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is GUMOKEGGPZQQQW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-20-17(13-25-14)11-21(2)19(24)12-22-10-16(9-18(22)23)8-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 97285978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).