N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide

C20H24N4O5S — CID 43948612

IUPACN-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1
InChIInChI=1S/C20H24N4O5S/c1-15-5-8-17(29-15)13-22-23-19(25)14-21-20(26)16-6-9-18(10-7-16)30(27,28)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,26)(H,23,25)/b22-13+
InChIKeyIWXLIGBVSQXFPS-LPYMAVHISA-N
MW432.50 g/mol
LogP1.64
Rot. Bonds7

About N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide

N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 43948612) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID43948612
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1
InChIInChI=1S/C20H24N4O5S/c1-15-5-8-17(29-15)13-22-23-19(25)14-21-20(26)16-6-9-18(10-7-16)30(27,28)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,26)(H,23,25)/b22-13+
InChIKeyIWXLIGBVSQXFPS-LPYMAVHISA-N
XLogP1.64
TPSA121.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6034339
N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6005443
N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 43948606
N-[2-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 6382859
N-[2-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6286698
4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 7985051
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6909722
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991463
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 136755725
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 20973698
N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24542872

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide (CID 43948612) is N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide is Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1.
What is the InChIKey of N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IWXLIGBVSQXFPS-LPYMAVHISA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-15-5-8-17(29-15)13-22-23-19(25)14-21-20(26)16-6-9-18(10-7-16)30(27,28)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,26)(H,23,25)/b22-13+.
What are the key properties of N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 432.50 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43948612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).