N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide

C20H25N3O3S — CID 16932512

IUPACN'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCC(c2ccsc2)N2CCOCC2)c1
InChIInChI=1S/C20H25N3O3S/c1-14-3-4-15(2)17(11-14)22-20(25)19(24)21-12-18(16-5-10-27-13-16)23-6-8-26-9-7-23/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPZJDUSNPCLTGKM-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.49
Rot. Bonds5

About N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide

N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 16932512) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID16932512
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCC(c2ccsc2)N2CCOCC2)c1
InChIInChI=1S/C20H25N3O3S/c1-14-3-4-15(2)17(11-14)22-20(25)19(24)21-12-18(16-5-10-27-13-16)23-6-8-26-9-7-23/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPZJDUSNPCLTGKM-UHFFFAOYSA-N
XLogP2.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.49
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'-(2,5-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932322
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 16932607
N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932352
N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932439
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30606016
N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932435
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 16932603
N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 16932487
N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 16932264
N'-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]oxamide
CID 30606007
N'-cyclopropyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932494
N'-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932466

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide (CID 16932512) is N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide is Cc1ccc(C)c(NC(=O)C(=O)NCC(c2ccsc2)N2CCOCC2)c1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is PZJDUSNPCLTGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-3-4-15(2)17(11-14)22-20(25)19(24)21-12-18(16-5-10-27-13-16)23-6-8-26-9-7-23/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 387.51 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 16932512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).