N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C24H30N4O4S — CID 16589893

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESO=C(CN1CCC(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C24H30N4O4S/c29-23(11-15-25-33(31,32)18-14-20-7-3-1-4-8-20)26-22-12-16-28(17-13-22)19-24(30)27-21-9-5-2-6-10-21/h1-10,14,18,22,25H,11-13,15-17,19H2,(H,26,29)(H,27,30)/b18-14+
InChIKeyJOHITZUEZZDCIC-NBVRZTHBSA-N
MW470.60 g/mol
LogP2.19
Rot. Bonds10

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 16589893) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID16589893
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESO=C(CN1CCC(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C24H30N4O4S/c29-23(11-15-25-33(31,32)18-14-20-7-3-1-4-8-20)26-22-12-16-28(17-13-22)19-24(30)27-21-9-5-2-6-10-21/h1-10,14,18,22,25H,11-13,15-17,19H2,(H,26,29)(H,27,30)/b18-14+
InChIKeyJOHITZUEZZDCIC-NBVRZTHBSA-N
XLogP2.19
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55655606
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 35418237
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 16589893) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is O=C(CN1CCC(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is JOHITZUEZZDCIC-NBVRZTHBSA-N. The full InChI is InChI=1S/C24H30N4O4S/c29-23(11-15-25-33(31,32)18-14-20-7-3-1-4-8-20)26-22-12-16-28(17-13-22)19-24(30)27-21-9-5-2-6-10-21/h1-10,14,18,22,25H,11-13,15-17,19H2,(H,26,29)(H,27,30)/b18-14+.
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 470.60 g/mol, XLogP of 2.19, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 16589893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).