N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

C24H33N5O5S — CID 22943424

IUPACN-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESC=C(N)N1CCCC(NC(=O)Cn2c(C)ccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1OCC
InChIInChI=1S/C24H33N5O5S/c1-4-34-24-21(11-8-14-28(24)18(3)25)26-22(30)15-29-17(2)12-13-20(23(29)31)27-35(32,33)16-19-9-6-5-7-10-19/h5-7,9-10,12-13,21,24,27H,3-4,8,11,14-16,25H2,1-2H3,(H,26,30)
InChIKeyXJLQNRYHJQROTL-UHFFFAOYSA-N
MW503.63 g/mol
LogP1.47
Rot. Bonds10

About N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 22943424) has the molecular formula C24H33N5O5S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID22943424
Molecular FormulaC24H33N5O5S
Molecular Weight503.63 g/mol
Exact Mass503.22
IUPAC NameN-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESC=C(N)N1CCCC(NC(=O)Cn2c(C)ccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1OCC
InChIInChI=1S/C24H33N5O5S/c1-4-34-24-21(11-8-14-28(24)18(3)25)26-22(30)15-29-17(2)12-13-20(23(29)31)27-35(32,33)16-19-9-6-5-7-10-19/h5-7,9-10,12-13,21,24,27H,3-4,8,11,14-16,25H2,1-2H3,(H,26,30)
InChIKeyXJLQNRYHJQROTL-UHFFFAOYSA-N
XLogP1.47
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide with MolForge

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Related Compounds

2-[5-(benzylsulfonylamino)-3-(methoxymethyl)-2,6-dioxopyrimidin-1-yl]-N-(1-carbamimidoyl-2-ethoxypiperidin-3-yl)acetamide
CID 15886690
2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(1-carbamimidoylpiperidin-4-yl)methyl]acetamide;hydrochloride
CID 158502594
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 10051154
2-[(3S)-3-(benzenesulfonamido)-2-oxopiperidin-1-yl]-N-[(3S)-2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]acetamide
CID 10815936
2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
CID 67566217
2-[1-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-carbamimidoylpiperidin-4-yl]-N-methylideneacetamide
CID 139805011
tert-butyl 2-[5-(benzylsulfonylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylate
CID 139893814
[[2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetyl]-[(4-methanehydrazonoylphenyl)methyl]amino] 4-methylbenzenesulfonate
CID 139936938
3-(benzylsulfonylamino)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]benzamide
CID 100980382
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 87050345
(2R)-2-(benzylsulfonylamino)-N-[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]-3-(1-carbamimidoylpiperidin-4-yl)propanamide
CID 10257345
1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62874027

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 22943424) is N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is C=C(N)N1CCCC(NC(=O)Cn2c(C)ccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1OCC.
What is the InChIKey of N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is XJLQNRYHJQROTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5S/c1-4-34-24-21(11-8-14-28(24)18(3)25)26-22(30)15-29-17(2)12-13-20(23(29)31)27-35(32,33)16-19-9-6-5-7-10-19/h5-7,9-10,12-13,21,24,27H,3-4,8,11,14-16,25H2,1-2H3,(H,26,30).
What are the key properties of N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 503.63 g/mol, XLogP of 1.47, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 22943424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).