N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide

C17H25N3O3S2 — CID 139027820

IUPACN'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC1(N2CCOCC2)CCSCC1
InChIInChI=1S/C17H25N3O3S2/c21-15(18-12-14-2-1-9-25-14)16(22)19-13-17(3-10-24-11-4-17)20-5-7-23-8-6-20/h1-2,9H,3-8,10-13H2,(H,18,21)(H,19,22)
InChIKeyRZDIXYRXLMHFOI-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.08
Rot. Bonds5

About N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 139027820) has the molecular formula C17H25N3O3S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID139027820
Molecular FormulaC17H25N3O3S2
Molecular Weight383.54 g/mol
Exact Mass383.13
IUPAC NameN'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC1(N2CCOCC2)CCSCC1
InChIInChI=1S/C17H25N3O3S2/c21-15(18-12-14-2-1-9-25-14)16(22)19-13-17(3-10-24-11-4-17)20-5-7-23-8-6-20/h1-2,9H,3-8,10-13H2,(H,18,21)(H,19,22)
InChIKeyRZDIXYRXLMHFOI-UHFFFAOYSA-N
XLogP1.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide
CID 139028683
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-methyl-1-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111259585
N-[(4-morpholin-4-ylthian-4-yl)methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 139028076
2-methyl-1-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111829711
N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16892165
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 95984909
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
1-[2-(4-methoxyphenyl)ethyl]-3-[(4-morpholin-4-ylthian-4-yl)methyl]urea
CID 139029271
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443

Frequently Asked Questions

What is the IUPAC name of N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide (CID 139027820) is N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)NCC1(N2CCOCC2)CCSCC1.
What is the InChIKey of N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is RZDIXYRXLMHFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S2/c21-15(18-12-14-2-1-9-25-14)16(22)19-13-17(3-10-24-11-4-17)20-5-7-23-8-6-20/h1-2,9H,3-8,10-13H2,(H,18,21)(H,19,22).
What are the key properties of N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 383.54 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 139027820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).