N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C12H18N2O4S2 — CID 47097885

IUPACN-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCON(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C12H18N2O4S2/c1-13(18-2)11(15)9-10-5-6-12(19-10)20(16,17)14-7-3-4-8-14/h5-6H,3-4,7-9H2,1-2H3
InChIKeyXQIDTTWNHJGVQX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.09
Rot. Bonds5

About N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 47097885) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID47097885
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCON(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C12H18N2O4S2/c1-13(18-2)11(15)9-10-5-6-12(19-10)20(16,17)14-7-3-4-8-14/h5-6H,3-4,7-9H2,1-2H3
InChIKeyXQIDTTWNHJGVQX-UHFFFAOYSA-N
XLogP1.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]propanoic acid
CID 119208948
N-cyclohexyl-N-cyclopropyl-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47024589
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60604797
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37351957
N-[(4-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide
CID 55918847
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55980282
phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 8765493
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-benzyl-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31821793
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
N-pyrrolidin-3-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119451561

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 47097885) is N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CON(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is XQIDTTWNHJGVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-13(18-2)11(15)9-10-5-6-12(19-10)20(16,17)14-7-3-4-8-14/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 47097885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).