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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Related Compounds

2,5-di(propan-2-yl)thiophene
CID 6429946
1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone
CID 170151285
2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide
CID 61336100
2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 61454199
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
(2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide
CID 156531215
4-[[1-(5-ethylthiophen-2-yl)ethyl-methylamino]methyl]benzoic acid
CID 65056142
N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
CID 119270779
N'-propan-2-yl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 142423267
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111

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).