N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C18H24N2O2S — CID 95985209

IUPACN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C18H24N2O2S/c1-12(2)23-16-7-3-13(4-8-16)9-17(21)19-14-10-18(22)20(11-14)15-5-6-15/h3-4,7-8,12,14-15H,5-6,9-11H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyXANDGEJQSSASEG-AWEZNQCLSA-N
MW332.47 g/mol
LogP2.61
Rot. Bonds6

About N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 95985209) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID95985209
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C18H24N2O2S/c1-12(2)23-16-7-3-13(4-8-16)9-17(21)19-14-10-18(22)20(11-14)15-5-6-15/h3-4,7-8,12,14-15H,5-6,9-11H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyXANDGEJQSSASEG-AWEZNQCLSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
CID 110719693
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methyl-3-(methylamino)propanamide
CID 119789623
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-(2-methoxyphenyl)acetamide
CID 110719761
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 95968730
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
CID 120610888
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119789629
3-amino-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide;hydrochloride
CID 119327016
2-(cyclopropylmethylamino)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)acetamide
CID 119789619
2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736735

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 95985209) is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1.
What is the InChIKey of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is XANDGEJQSSASEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12(2)23-16-7-3-13(4-8-16)9-17(21)19-14-10-18(22)20(11-14)15-5-6-15/h3-4,7-8,12,14-15H,5-6,9-11H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 95985209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).