N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C20H26N2O5S2 — CID 55596173

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCOc1cc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc(OC)c1
InChIInChI=1S/C20H26N2O5S2/c1-26-16-10-15(11-17(12-16)27-2)14-21-19(23)13-18-6-7-20(28-18)29(24,25)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9,13-14H2,1-2H3,(H,21,23)
InChIKeyNUDFJSGWYLWAMM-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.80
Rot. Bonds8

About N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 55596173) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID55596173
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCOc1cc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc(OC)c1
InChIInChI=1S/C20H26N2O5S2/c1-26-16-10-15(11-17(12-16)27-2)14-21-19(23)13-18-6-7-20(28-18)29(24,25)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9,13-14H2,1-2H3,(H,21,23)
InChIKeyNUDFJSGWYLWAMM-UHFFFAOYSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55595327
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 8713130
N-[(3-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37430896
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55620905
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36672065
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2,4-dimethoxybenzamide
CID 53112412
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
methyl 7-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]heptanoate
CID 46420163
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55591099
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 55596173) is N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is COc1cc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is NUDFJSGWYLWAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-26-16-10-15(11-17(12-16)27-2)14-21-19(23)13-18-6-7-20(28-18)29(24,25)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 438.57 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 55596173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).