N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide

C20H19FN2O3S — CID 99980632

IUPACN'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESC[C@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C20H19FN2O3S/c1-20(26,17-10-14-4-2-3-5-16(14)27-17)12-23-19(25)18(24)22-11-13-6-8-15(21)9-7-13/h2-10,26H,11-12H2,1H3,(H,22,24)(H,23,25)/t20-/m0/s1
InChIKeyKTNPXGPNRYOORL-FQEVSTJZSA-N
MW386.45 g/mol
LogP2.68
Rot. Bonds5

About N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide

N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 99980632) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID99980632
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESC[C@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C20H19FN2O3S/c1-20(26,17-10-14-4-2-3-5-16(14)27-17)12-23-19(25)18(24)22-11-13-6-8-15(21)9-7-13/h2-10,26H,11-12H2,1H3,(H,22,24)(H,23,25)/t20-/m0/s1
InChIKeyKTNPXGPNRYOORL-FQEVSTJZSA-N
XLogP2.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide 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

N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)oxalamide
CID 56764063
N1-(thiophen-2-ylmethyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764241
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71971006
N1-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-N2-(4-fluorobenzyl)oxalamide
CID 71781770
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-3-(2-fluorophenyl)propanamide
CID 86263988
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide
CID 99979801
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]o-(trifluoromethyl)benzamide
CID 99980061
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide
CID 99980221
2-[(S)-1-hydroxy-1-methyl-2-(N-3-fluoro-4-tolylcarbamoylcarbonylamino)ethyl]-1-benzothiophene
CID 99980636
1-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 99980781
(S)-2-(1-benzothiophen-2-yl)-1-{3-[(p-fluorophenyl)methyl]ureido}-2-propanol
CID 99980788
N-(2-amino-2-oxoethyl)-3-[2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1-benzothiophen-7-yl]benzamide
CID 59193847

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide (CID 99980632) is N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide is C[C@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2s1.
What is the InChIKey of N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is KTNPXGPNRYOORL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-20(26,17-10-14-4-2-3-5-16(14)27-17)12-23-19(25)18(24)22-11-13-6-8-15(21)9-7-13/h2-10,26H,11-12H2,1H3,(H,22,24)(H,23,25)/t20-/m0/s1.
What are the key properties of N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide?
N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 386.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 99980632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).