N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide

C20H25N3O4S — CID 47801133

IUPACN-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-19-11-7-16(8-12-19)21-20(24)15-28(25,26)22-17-5-9-18(10-6-17)23-13-3-2-4-14-23/h5-12,22H,2-4,13-15H2,1H3,(H,21,24)
InChIKeyXKWJTQPAYGBHGG-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.07
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide

N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide (PubChem CID 47801133) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
PubChem CID47801133
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-19-11-7-16(8-12-19)21-20(24)15-28(25,26)22-17-5-9-18(10-6-17)23-13-3-2-4-14-23/h5-12,22H,2-4,13-15H2,1H3,(H,21,24)
InChIKeyXKWJTQPAYGBHGG-UHFFFAOYSA-N
XLogP3.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47800835
N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47801652
2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7579194
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
CID 7378841
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
CID 51127345
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 26689927
1-(4-methoxyphenyl)piperidine
CID 10130315
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203566

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide (CID 47801133) is N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide is COc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide?
The InChIKey is XKWJTQPAYGBHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-27-19-11-7-16(8-12-19)21-20(24)15-28(25,26)22-17-5-9-18(10-6-17)23-13-3-2-4-14-23/h5-12,22H,2-4,13-15H2,1H3,(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide?
N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide has a molecular weight of 403.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide is sourced from PubChem (CID 47801133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).