2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide

C16H23NO3S — CID 95281064

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
SMILESC[C@@H](CCNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C16H23NO3S/c1-13(15-5-3-2-4-6-15)7-9-17-16(18)11-14-8-10-21(19,20)12-14/h2-6,13-14H,7-12H2,1H3,(H,17,18)/t13-,14+/m0/s1
InChIKeyKOULQEOZYBZQPC-UONOGXRCSA-N
MW309.43 g/mol
LogP2.12
Rot. Bonds6

About 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide (PubChem CID 95281064) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
PubChem CID95281064
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
SMILESC[C@@H](CCNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C16H23NO3S/c1-13(15-5-3-2-4-6-15)7-9-17-16(18)11-14-8-10-21(19,20)12-14/h2-6,13-14H,7-12H2,1H3,(H,17,18)/t13-,14+/m0/s1
InChIKeyKOULQEOZYBZQPC-UONOGXRCSA-N
XLogP2.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
CID 95281062
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52835383
2-(1,1-dioxothiolan-3-yl)-N-(3-methyl-1-phenylbutyl)acetamide
CID 78813624
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993
2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
CID 55152746
2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide
CID 107299589
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2,2-diphenylacetohydrazide
CID 55416475
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593410
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184590
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(3,3-diphenylpropyl)-2-methylguanidine
CID 111233857
1,1-dioxo-N-(3-phenylbutyl)thian-3-amine
CID 63922445

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide (CID 95281064) is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide is C[C@@H](CCNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide?
The InChIKey is KOULQEOZYBZQPC-UONOGXRCSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-13(15-5-3-2-4-6-15)7-9-17-16(18)11-14-8-10-21(19,20)12-14/h2-6,13-14H,7-12H2,1H3,(H,17,18)/t13-,14+/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide has a molecular weight of 309.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide is sourced from PubChem (CID 95281064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).