N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide

C15H21FN2O3S — CID 154745944

IUPACN-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide
SMILESCC1CCS(=O)(=O)CCN1CCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O3S/c1-12-7-10-22(20,21)11-9-18(12)8-6-15(19)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyDLWLRXQOZPPIKC-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.66
Rot. Bonds4

About N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide

N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide (PubChem CID 154745944) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide
PubChem CID154745944
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide
SMILESCC1CCS(=O)(=O)CCN1CCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O3S/c1-12-7-10-22(20,21)11-9-18(12)8-6-15(19)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyDLWLRXQOZPPIKC-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide 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

1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785896
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112
N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62014163
3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-fluorophenyl)propanamide
CID 100905129
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
CID 62654769
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 91843372
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide (CID 154745944) is N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide is CC1CCS(=O)(=O)CCN1CCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide?
The InChIKey is DLWLRXQOZPPIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-12-7-10-22(20,21)11-9-18(12)8-6-15(19)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide?
N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide is sourced from PubChem (CID 154745944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).