N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide

C11H16N2O4S2 — CID 69116655

IUPACN'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide
SMILESCC(C)c1ccc(CN(C(=O)C(N)=O)S(C)(=O)=O)s1
InChIInChI=1S/C11H16N2O4S2/c1-7(2)9-5-4-8(18-9)6-13(19(3,16)17)11(15)10(12)14/h4-5,7H,6H2,1-3H3,(H2,12,14)
InChIKeyMYNBTJYZNLRZEP-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.64
Rot. Bonds4

About N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide

N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide (PubChem CID 69116655) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide
PubChem CID69116655
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC NameN'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide
SMILESCC(C)c1ccc(CN(C(=O)C(N)=O)S(C)(=O)=O)s1
InChIInChI=1S/C11H16N2O4S2/c1-7(2)9-5-4-8(18-9)6-13(19(3,16)17)11(15)10(12)14/h4-5,7H,6H2,1-3H3,(H2,12,14)
InChIKeyMYNBTJYZNLRZEP-UHFFFAOYSA-N
XLogP0.64
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide?
The IUPAC name of N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide (CID 69116655) is N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide.
What is the SMILES notation for N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide?
The canonical SMILES for N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide is CC(C)c1ccc(CN(C(=O)C(N)=O)S(C)(=O)=O)s1.
What is the InChIKey of N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide?
The InChIKey is MYNBTJYZNLRZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-7(2)9-5-4-8(18-9)6-13(19(3,16)17)11(15)10(12)14/h4-5,7H,6H2,1-3H3,(H2,12,14).
What are the key properties of N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide?
N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide has a molecular weight of 304.39 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide is sourced from PubChem (CID 69116655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).