N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C23H29N3O3S — CID 55655606

IUPACN-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H29N3O3S/c27-23(13-15-24-30(28,29)17-14-20-8-3-1-4-9-20)25-22-12-7-16-26(19-22)18-21-10-5-2-6-11-21/h1-6,8-11,14,17,22,24H,7,12-13,15-16,18-19H2,(H,25,27)/b17-14+
InChIKeyFNBIAVYQIYVTLL-SAPNQHFASA-N
MW427.57 g/mol
LogP2.75
Rot. Bonds9

About N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 55655606) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID55655606
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H29N3O3S/c27-23(13-15-24-30(28,29)17-14-20-8-3-1-4-9-20)25-22-12-7-16-26(19-22)18-21-10-5-2-6-11-21/h1-6,8-11,14,17,22,24H,7,12-13,15-16,18-19H2,(H,25,27)/b17-14+
InChIKeyFNBIAVYQIYVTLL-SAPNQHFASA-N
XLogP2.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 35418237
N-(1-benzylpyrrolidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 55378305
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 55655606) is N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is FNBIAVYQIYVTLL-SAPNQHFASA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-23(13-15-24-30(28,29)17-14-20-8-3-1-4-9-20)25-22-12-7-16-26(19-22)18-21-10-5-2-6-11-21/h1-6,8-11,14,17,22,24H,7,12-13,15-16,18-19H2,(H,25,27)/b17-14+.
What are the key properties of N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 427.57 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55655606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).