N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide

C21H27N3O4S — CID 56553050

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccccc1CN1CCC(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H27N3O4S/c1-28-20-5-3-2-4-17(20)15-24-12-10-18(11-13-24)23-21(25)14-16-6-8-19(9-7-16)29(22,26)27/h2-9,18H,10-15H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyIFEFRNFKEFNMMC-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.67
Rot. Bonds7

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56553050) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56553050
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccccc1CN1CCC(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H27N3O4S/c1-28-20-5-3-2-4-17(20)15-24-12-10-18(11-13-24)23-21(25)14-16-6-8-19(9-7-16)29(22,26)27/h2-9,18H,10-15H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyIFEFRNFKEFNMMC-UHFFFAOYSA-N
XLogP1.67
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 25205608
1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide
CID 74227150
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55952881
N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55951097
methyl 5-acetyl-2-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 55977808
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide (CID 56553050) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide is COc1ccccc1CN1CCC(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is IFEFRNFKEFNMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-28-20-5-3-2-4-17(20)15-24-12-10-18(11-13-24)23-21(25)14-16-6-8-19(9-7-16)29(22,26)27/h2-9,18H,10-15H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56553050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).