2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide

C16H20N4O3S — CID 75601364

IUPAC2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CC#N)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-13(18-19-16(21)9-10-17)14-5-7-15(8-6-14)24(22,23)20-11-3-2-4-12-20/h5-8H,2-4,9,11-12H2,1H3,(H,19,21)
InChIKeyKSWPPZUMRGQFDE-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.62
Rot. Bonds5

About 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide

2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide (PubChem CID 75601364) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
PubChem CID75601364
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CC#N)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-13(18-19-16(21)9-10-17)14-5-7-15(8-6-14)24(22,23)20-11-3-2-4-12-20/h5-8H,2-4,9,11-12H2,1H3,(H,19,21)
InChIKeyKSWPPZUMRGQFDE-UHFFFAOYSA-N
XLogP1.62
TPSA102.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
CID 8883829
(E)-2-cyano-3-(4-hydroxyphenyl)-N-[(E)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]prop-2-enamide
CID 54590234
4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide
CID 9359416
2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759228
N-[(Z)-butan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465901
4,6-dimethyl-N-[(Z)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethylideneamino]pyrimidin-2-amine
CID 40882052
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135775289
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide
CID 5171584
N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465902

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide (CID 75601364) is 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide is CC(=NNC(=O)CC#N)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide?
The InChIKey is KSWPPZUMRGQFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-13(18-19-16(21)9-10-17)14-5-7-15(8-6-14)24(22,23)20-11-3-2-4-12-20/h5-8H,2-4,9,11-12H2,1H3,(H,19,21).
What are the key properties of 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide?
2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide has a molecular weight of 348.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 75601364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).