N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide

C19H24N2O4S2 — CID 53112400

IUPACN-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(CNC(=O)COc3ccccc3)s2)CC1
InChIInChI=1S/C19H24N2O4S2/c1-15-9-11-21(12-10-15)27(23,24)19-8-7-17(26-19)13-20-18(22)14-25-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,20,22)
InChIKeyKCQDCGDSDFCPNE-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.86
Rot. Bonds7

About N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide

N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide (PubChem CID 53112400) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide
PubChem CID53112400
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(CNC(=O)COc3ccccc3)s2)CC1
InChIInChI=1S/C19H24N2O4S2/c1-15-9-11-21(12-10-15)27(23,24)19-8-7-17(26-19)13-20-18(22)14-25-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,20,22)
InChIKeyKCQDCGDSDFCPNE-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide
CID 53112401
2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 47047952
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
2-[5-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 63624288
5-bromo-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]pyridine-3-carboxamide
CID 53112382
N-[[5-(4-anilinopiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 57443892
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
N-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438
N-[[5-[4-(cyclohexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 142788761
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554635

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide (CID 53112400) is N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide is CC1CCN(S(=O)(=O)c2ccc(CNC(=O)COc3ccccc3)s2)CC1.
What is the InChIKey of N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide?
The InChIKey is KCQDCGDSDFCPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-15-9-11-21(12-10-15)27(23,24)19-8-7-17(26-19)13-20-18(22)14-25-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,20,22).
What are the key properties of N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide?
N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide has a molecular weight of 408.55 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 53112400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).