N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide

C19H22FN3O3S — CID 30835087

IUPACN-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C19H22FN3O3S/c20-15-5-3-14(4-6-15)12-21-18(24)19(25)22-13-16(17-2-1-11-27-17)23-7-9-26-10-8-23/h1-6,11,16H,7-10,12-13H2,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyBLINVBGASCUGBJ-MRXNPFEDSA-N
MW391.47 g/mol
LogP1.69
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide (PubChem CID 30835087) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
PubChem CID30835087
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C19H22FN3O3S/c20-15-5-3-14(4-6-15)12-21-18(24)19(25)22-13-16(17-2-1-11-27-17)23-7-9-26-10-8-23/h1-6,11,16H,7-10,12-13H2,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyBLINVBGASCUGBJ-MRXNPFEDSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]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

N'-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 30835462
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835121
N-[(4-fluorophenyl)methyl]-N'-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 92665747
N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 30717764
1-[(4-fluorophenyl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 51291099
N'-(2-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835113
N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 18589172
N-[(2-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 16831449
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835333
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide (CID 30835087) is N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide?
The InChIKey is BLINVBGASCUGBJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-15-5-3-14(4-6-15)12-21-18(24)19(25)22-13-16(17-2-1-11-27-17)23-7-9-26-10-8-23/h1-6,11,16H,7-10,12-13H2,(H,21,24)(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide has a molecular weight of 391.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 30835087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).