N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide

C19H25N3O3S2 — CID 55681821

IUPACN-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC2CCCN(Cc3ccccc3)C2)s1
InChIInChI=1S/C19H25N3O3S2/c1-15(23)20-12-18-9-10-19(26-18)27(24,25)21-17-8-5-11-22(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,17,21H,5,8,11-14H2,1H3,(H,20,23)
InChIKeyXNKBYBNPQQQRHI-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.33
Rot. Bonds7

About N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 55681821) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID55681821
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC2CCCN(Cc3ccccc3)C2)s1
InChIInChI=1S/C19H25N3O3S2/c1-15(23)20-12-18-9-10-19(26-18)27(24,25)21-17-8-5-11-22(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,17,21H,5,8,11-14H2,1H3,(H,20,23)
InChIKeyXNKBYBNPQQQRHI-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 55355371
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
4-[(1-benzylpiperidin-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113239305
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid
CID 64590673
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 55681821) is N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NC2CCCN(Cc3ccccc3)C2)s1.
What is the InChIKey of N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is XNKBYBNPQQQRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-15(23)20-12-18-9-10-19(26-18)27(24,25)21-17-8-5-11-22(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,17,21H,5,8,11-14H2,1H3,(H,20,23).
What are the key properties of N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 55681821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).