N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C20H26N2O5S2 — CID 46486195

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C20H26N2O5S2/c1-3-27-16-8-7-15(13-17(16)26-2)14-21-20(23)19-18(9-12-28-19)29(24,25)22-10-5-4-6-11-22/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,21,23)
InChIKeyLVOZCHDMMDAWSC-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.26
Rot. Bonds8

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 46486195) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID46486195
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C20H26N2O5S2/c1-3-27-16-8-7-15(13-17(16)26-2)14-21-20(23)19-18(9-12-28-19)29(24,25)22-10-5-4-6-11-22/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,21,23)
InChIKeyLVOZCHDMMDAWSC-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 60621527
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55897304
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 55565313
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760762
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 46477327
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55632582
N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28576425
5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246200
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261543

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 46486195) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is CCOc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is LVOZCHDMMDAWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-3-27-16-8-7-15(13-17(16)26-2)14-21-20(23)19-18(9-12-28-19)29(24,25)22-10-5-4-6-11-22/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 46486195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).