N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide

C14H15NO4S2 — CID 42100153

IUPACN-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide
SMILESCOc1cccc(CNC(=O)CS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H15NO4S2/c1-19-12-5-2-4-11(8-12)9-15-13(16)10-21(17,18)14-6-3-7-20-14/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyLFWORGYGYYYICR-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.85
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide

N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide (PubChem CID 42100153) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide
PubChem CID42100153
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide
SMILESCOc1cccc(CNC(=O)CS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H15NO4S2/c1-19-12-5-2-4-11(8-12)9-15-13(16)10-21(17,18)14-6-3-7-20-14/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyLFWORGYGYYYICR-UHFFFAOYSA-N
XLogP1.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 50769795
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 25162879
4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 91309670
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 3239199

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide (CID 42100153) is N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide is COc1cccc(CNC(=O)CS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide?
The InChIKey is LFWORGYGYYYICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-19-12-5-2-4-11(8-12)9-15-13(16)10-21(17,18)14-6-3-7-20-14/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide?
N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide has a molecular weight of 325.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 42100153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).