N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide

C20H23ClN4O6S — CID 24979908

IUPACN-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O6S/c1-3-31-17-7-5-4-6-16(17)20(28)22-12-18(26)23-24-19(27)13-25(2)32(29,30)15-10-8-14(21)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyIAMRRSOHOGNFDZ-UHFFFAOYSA-N
MW482.95 g/mol
LogP0.94
Rot. Bonds9

About N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide

N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 24979908) has the molecular formula C20H23ClN4O6S and a molecular weight of 482.95 g/mol. Its IUPAC name is N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
PubChem CID24979908
Molecular FormulaC20H23ClN4O6S
Molecular Weight482.95 g/mol
Exact Mass482.10
IUPAC NameN-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O6S/c1-3-31-17-7-5-4-6-16(17)20(28)22-12-18(26)23-24-19(27)13-25(2)32(29,30)15-10-8-14(21)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyIAMRRSOHOGNFDZ-UHFFFAOYSA-N
XLogP0.94
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamide
CID 85542
Glicondamide
CID 219108
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4795157
5-Chloro-2-methoxy-N-(4-(N-methylsulfamoyl)phenethyl)benzamide
CID 117715670
2-ethoxy-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2109980
2-ethoxy-N-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]benzamide
CID 16314922
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 24981818
4-chloro-N-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444066
5-chloro-N-(4-(N,N-dibutylsulfamoyl)phenethyl)-2-methoxybenzamide
CID 138393069
N-[2-[4-(butylsulfamoyl)phenyl]ethyl]-5-chloro-2-methoxybenzamide
CID 145991988
N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
CID 155522199
N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
CID 155544483

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide (CID 24979908) is N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is IAMRRSOHOGNFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O6S/c1-3-31-17-7-5-4-6-16(17)20(28)22-12-18(26)23-24-19(27)13-25(2)32(29,30)15-10-8-14(21)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27).
What are the key properties of N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 482.95 g/mol, XLogP of 0.94, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 24979908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).