N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

C24H32N2O5S — CID 28576425

IUPACN-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1OCC
InChIInChI=1S/C24H32N2O5S/c1-3-30-22-13-10-20(16-23(22)31-4-2)17-25-24(27)21-11-8-19(9-12-21)18-32(28,29)26-14-6-5-7-15-26/h8-13,16H,3-7,14-15,17-18H2,1-2H3,(H,25,27)
InChIKeyGMPCVKONVVCCGO-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.73
Rot. Bonds10

About N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 28576425) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID28576425
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1OCC
InChIInChI=1S/C24H32N2O5S/c1-3-30-22-13-10-20(16-23(22)31-4-2)17-25-24(27)21-11-8-19(9-12-21)18-32(28,29)26-14-6-5-7-15-26/h8-13,16H,3-7,14-15,17-18H2,1-2H3,(H,25,27)
InChIKeyGMPCVKONVVCCGO-UHFFFAOYSA-N
XLogP3.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28564417
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92676922
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248719
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55632582
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46486195
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617256

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 28576425) is N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is CCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is GMPCVKONVVCCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-3-30-22-13-10-20(16-23(22)31-4-2)17-25-24(27)21-11-8-19(9-12-21)18-32(28,29)26-14-6-5-7-15-26/h8-13,16H,3-7,14-15,17-18H2,1-2H3,(H,25,27).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 460.60 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 28576425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).