N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide

C18H20ClN3O3S — CID 16932435

IUPACN'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCC(c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c19-14-1-3-15(4-2-14)21-18(24)17(23)20-11-16(13-5-10-26-12-13)22-6-8-25-9-7-22/h1-5,10,12,16H,6-9,11H2,(H,20,23)(H,21,24)
InChIKeySDUGBQIBCVJRAW-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.53
Rot. Bonds5

About N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide

N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 16932435) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID16932435
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCC(c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c19-14-1-3-15(4-2-14)21-18(24)17(23)20-11-16(13-5-10-26-12-13)22-6-8-25-9-7-22/h1-5,10,12,16H,6-9,11H2,(H,20,23)(H,21,24)
InChIKeySDUGBQIBCVJRAW-UHFFFAOYSA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932466
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30606016
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932433
1-(4-chlorophenyl)-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]urea
CID 42551596
N'-(4-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583635
N'-cyclopropyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932494
N'-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]oxamide
CID 30606007
N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932439
N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932512
N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 16932487
N'-cyclohexyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932444
N'-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-[(4-chlorophenyl)methyl]oxamide
CID 40857959

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide (CID 16932435) is N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide is O=C(NCC(c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is SDUGBQIBCVJRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-14-1-3-15(4-2-14)21-18(24)17(23)20-11-16(13-5-10-26-12-13)22-6-8-25-9-7-22/h1-5,10,12,16H,6-9,11H2,(H,20,23)(H,21,24).
What are the key properties of N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 393.90 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 16932435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).