N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide

C20H21FN2O3S — CID 58115485

IUPACN-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)CCc1ccc(OCc2cccc(F)c2)cc1)C(N)=S
InChIInChI=1S/C20H21FN2O3S/c1-13(24)23-19(20(22)27)18(25)10-7-14-5-8-17(9-6-14)26-12-15-3-2-4-16(21)11-15/h2-6,8-9,11,19H,7,10,12H2,1H3,(H2,22,27)(H,23,24)
InChIKeyZCIPHGHPTQFATK-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.70
Rot. Bonds9

About N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide

N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide (PubChem CID 58115485) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide
PubChem CID58115485
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)CCc1ccc(OCc2cccc(F)c2)cc1)C(N)=S
InChIInChI=1S/C20H21FN2O3S/c1-13(24)23-19(20(22)27)18(25)10-7-14-5-8-17(9-6-14)26-12-15-3-2-4-16(21)11-15/h2-6,8-9,11,19H,7,10,12H2,1H3,(H2,22,27)(H,23,24)
InChIKeyZCIPHGHPTQFATK-UHFFFAOYSA-N
XLogP2.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-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

3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
(3S)-3-acetamido-4-chloro-N-[4-[(3-fluorophenyl)methoxy]phenyl]butanamide
CID 118057062
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide
CID 58115516
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide
CID 67067988
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide
CID 171869350

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide?
The IUPAC name of N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide (CID 58115485) is N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide.
What is the SMILES notation for N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide?
The canonical SMILES for N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide is CC(=O)NC(C(=O)CCc1ccc(OCc2cccc(F)c2)cc1)C(N)=S.
What is the InChIKey of N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide?
The InChIKey is ZCIPHGHPTQFATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-13(24)23-19(20(22)27)18(25)10-7-14-5-8-17(9-6-14)26-12-15-3-2-4-16(21)11-15/h2-6,8-9,11,19H,7,10,12H2,1H3,(H2,22,27)(H,23,24).
What are the key properties of N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide?
N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide has a molecular weight of 388.46 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide is sourced from PubChem (CID 58115485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).