N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C25H28N2O6S — CID 55633664

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O6S/c1-31-23-16-20(10-11-21(23)32-18-19-8-4-2-5-9-19)17-26-25(28)22-12-13-24(33-22)34(29,30)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15,17-18H2,1H3,(H,26,28)
InChIKeyQZRVOUKCDUHUGA-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.97
Rot. Bonds9

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55633664) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55633664
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O6S/c1-31-23-16-20(10-11-21(23)32-18-19-8-4-2-5-9-19)17-26-25(28)22-12-13-24(33-22)34(29,30)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15,17-18H2,1H3,(H,26,28)
InChIKeyQZRVOUKCDUHUGA-UHFFFAOYSA-N
XLogP3.97
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
N-[2-(3,4-diethoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630550
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760762
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 32889747
5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
CID 39576917
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55783915
3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 25443222
5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 46470216
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55632582
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46486195

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55633664) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is QZRVOUKCDUHUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-31-23-16-20(10-11-21(23)32-18-19-8-4-2-5-9-19)17-26-25(28)22-12-13-24(33-22)34(29,30)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15,17-18H2,1H3,(H,26,28).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 484.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55633664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).