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

C17H27N3O3S — CID 16932439

IUPACN-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C17H27N3O3S/c1-13(2)3-5-18-16(21)17(22)19-11-15(14-4-10-24-12-14)20-6-8-23-9-7-20/h4,10,12-13,15H,3,5-9,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyAJOFTPHLRCPNQU-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.40
Rot. Bonds7

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

N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 16932439) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID16932439
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C17H27N3O3S/c1-13(2)3-5-18-16(21)17(22)19-11-15(14-4-10-24-12-14)20-6-8-23-9-7-20/h4,10,12-13,15H,3,5-9,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyAJOFTPHLRCPNQU-UHFFFAOYSA-N
XLogP1.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.40
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-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 16932264
N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 16932487
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30606016
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'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932512
N'-cyclohexyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932444
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932433
N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932435
N-[(4-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932457
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)cyclopropanecarboxamide
CID 16931690
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide (CID 16932439) is N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide is CC(C)CCNC(=O)C(=O)NCC(c1ccsc1)N1CCOCC1.
What is the InChIKey of N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is AJOFTPHLRCPNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)3-5-18-16(21)17(22)19-11-15(14-4-10-24-12-14)20-6-8-23-9-7-20/h4,10,12-13,15H,3,5-9,11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 353.49 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 16932439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).