N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide

C19H19N5O8S — CID 6733910

IUPACN-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NNC(=O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N5O8S/c1-33(31,32)15-5-3-2-4-14(15)19(28)23-22-17(26)11-20-16(25)10-21-18(27)12-6-8-13(9-7-12)24(29)30/h2-9H,10-11H2,1H3,(H,20,25)(H,21,27)(H,22,26)(H,23,28)
InChIKeyVVJSQGUCZYBYER-UHFFFAOYSA-N
MW477.46 g/mol
LogP-0.69
Rot. Bonds8

About N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide

N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide (PubChem CID 6733910) has the molecular formula C19H19N5O8S and a molecular weight of 477.46 g/mol. Its IUPAC name is N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide
PubChem CID6733910
Molecular FormulaC19H19N5O8S
Molecular Weight477.46 g/mol
Exact Mass477.10
IUPAC NameN-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NNC(=O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N5O8S/c1-33(31,32)15-5-3-2-4-14(15)19(28)23-22-17(26)11-20-16(25)10-21-18(27)12-6-8-13(9-7-12)24(29)30/h2-9H,10-11H2,1H3,(H,20,25)(H,21,27)(H,22,26)(H,23,28)
InChIKeyVVJSQGUCZYBYER-UHFFFAOYSA-N
XLogP-0.69
TPSA193.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxoethyl]-4-nitrobenzamide
CID 3868260
N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
CID 9224321
tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate
CID 118158794
4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3499042
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
4-(dipropylsulfamoyl)-N-[2-[2-[(4-nitrophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
CID 43948675
2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
CID 60572009
N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide
CID 40718557
4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 60552577

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide?
The IUPAC name of N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide (CID 6733910) is N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide is CS(=O)(=O)c1ccccc1C(=O)NNC(=O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide?
The InChIKey is VVJSQGUCZYBYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O8S/c1-33(31,32)15-5-3-2-4-14(15)19(28)23-22-17(26)11-20-16(25)10-21-18(27)12-6-8-13(9-7-12)24(29)30/h2-9H,10-11H2,1H3,(H,20,25)(H,21,27)(H,22,26)(H,23,28).
What are the key properties of N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide?
N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide has a molecular weight of 477.46 g/mol, XLogP of -0.69, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-(2-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide is sourced from PubChem (CID 6733910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).