N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C21H24N4O5S — CID 6005443

IUPACN-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(/C=N\NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C21H24N4O5S/c1-30-18-8-4-16(5-9-18)14-23-24-20(26)15-22-21(27)17-6-10-19(11-7-17)31(28,29)25-12-2-3-13-25/h4-11,14H,2-3,12-13,15H2,1H3,(H,22,27)(H,24,26)/b23-14-
InChIKeyNXLQKCGFFUFXAG-UCQKPKSFSA-N
MW444.51 g/mol
LogP1.36
Rot. Bonds8

About N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 6005443) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID6005443
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(/C=N\NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C21H24N4O5S/c1-30-18-8-4-16(5-9-18)14-23-24-20(26)15-22-21(27)17-6-10-19(11-7-17)31(28,29)25-12-2-3-13-25/h4-11,14H,2-3,12-13,15H2,1H3,(H,22,27)(H,24,26)/b23-14-
InChIKeyNXLQKCGFFUFXAG-UCQKPKSFSA-N
XLogP1.36
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.36
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-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 43948606
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6034339
N-[2-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6286698
N-[2-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 6382859
N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 43948612
[4-[(Z)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6048625
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 55624016
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 136755725
N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24542872
4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide
CID 9359416
N-[2-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 7976843

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 6005443) is N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(/C=N\NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is NXLQKCGFFUFXAG-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-30-18-8-4-16(5-9-18)14-23-24-20(26)15-22-21(27)17-6-10-19(11-7-17)31(28,29)25-12-2-3-13-25/h4-11,14H,2-3,12-13,15H2,1H3,(H,22,27)(H,24,26)/b23-14-.
What are the key properties of N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 444.51 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 6005443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).