N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide

C14H16N2O2S2 — CID 175234388

IUPACN',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide
SMILESCc1ccsc1CN(Cc1sccc1C)C(=O)C(N)=O
InChIInChI=1S/C14H16N2O2S2/c1-9-3-5-19-11(9)7-16(14(18)13(15)17)8-12-10(2)4-6-20-12/h3-6H,7-8H2,1-2H3,(H2,15,17)
InChIKeyVKAQCSLHBIRQJC-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.44
Rot. Bonds4

About N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide

N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide (PubChem CID 175234388) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide
PubChem CID175234388
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide
SMILESCc1ccsc1CN(Cc1sccc1C)C(=O)C(N)=O
InChIInChI=1S/C14H16N2O2S2/c1-9-3-5-19-11(9)7-16(14(18)13(15)17)8-12-10(2)4-6-20-12/h3-6H,7-8H2,1-2H3,(H2,15,17)
InChIKeyVKAQCSLHBIRQJC-UHFFFAOYSA-N
XLogP2.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide?
The IUPAC name of N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide (CID 175234388) is N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide.
What is the SMILES notation for N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide?
The canonical SMILES for N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide is Cc1ccsc1CN(Cc1sccc1C)C(=O)C(N)=O.
What is the InChIKey of N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide?
The InChIKey is VKAQCSLHBIRQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-9-3-5-19-11(9)7-16(14(18)13(15)17)8-12-10(2)4-6-20-12/h3-6H,7-8H2,1-2H3,(H2,15,17).
What are the key properties of N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide?
N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide has a molecular weight of 308.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide is sourced from PubChem (CID 175234388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).