N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide

C21H24N2O3S — CID 3558958

IUPACN-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C21H24N2O3S/c1-16(24)22-20(21(25)23-13-5-6-14-23)15-27-19-11-9-18(10-12-19)26-17-7-3-2-4-8-17/h2-4,7-12,20H,5-6,13-15H2,1H3,(H,22,24)
InChIKeyXLEPHBLLXPXRNO-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.70
Rot. Bonds7

About N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide

N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide (PubChem CID 3558958) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
PubChem CID3558958
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C21H24N2O3S/c1-16(24)22-20(21(25)23-13-5-6-14-23)15-27-19-11-9-18(10-12-19)26-17-7-3-2-4-8-17/h2-4,7-12,20H,5-6,13-15H2,1H3,(H,22,24)
InChIKeyXLEPHBLLXPXRNO-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]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

N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4240193
N-[1-oxo-3-(4-phenylmethoxyphenyl)sulfanyl-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3923340
N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4286432
N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 3318101
2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide
CID 3275959
N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 5180125
N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3349548
N-[3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 3388136
1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 3434871
ethyl 1-[2-acetamido-3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate
CID 4213260
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
N-[3-(4-butylphenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 5167966

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide (CID 3558958) is N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide is CC(=O)NC(CSc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1.
What is the InChIKey of N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The InChIKey is XLEPHBLLXPXRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16(24)22-20(21(25)23-13-5-6-14-23)15-27-19-11-9-18(10-12-19)26-17-7-3-2-4-8-17/h2-4,7-12,20H,5-6,13-15H2,1H3,(H,22,24).
What are the key properties of N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 3558958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).