2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide

C17H18N4O5S — CID 6877590

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O5S/c1-13-7-9-15(10-8-13)27(25,26)20(2)12-17(22)19-18-11-14-5-3-4-6-16(14)21(23)24/h3-11H,12H2,1-2H3,(H,19,22)/b18-11+
InChIKeyBTTAVFHKGBYRKZ-WOJGMQOQSA-N
MW390.42 g/mol
LogP1.67
Rot. Bonds7

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 6877590) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
PubChem CID6877590
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O5S/c1-13-7-9-15(10-8-13)27(25,26)20(2)12-17(22)19-18-11-14-5-3-4-6-16(14)21(23)24/h3-11H,12H2,1-2H3,(H,19,22)/b18-11+
InChIKeyBTTAVFHKGBYRKZ-WOJGMQOQSA-N
XLogP1.67
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 55351543
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 2247598
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 9174614
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 2270842
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 9122680
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135679438
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 92511368
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 126228664
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9122668
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 43879026

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide (CID 6877590) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is BTTAVFHKGBYRKZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-13-7-9-15(10-8-13)27(25,26)20(2)12-17(22)19-18-11-14-5-3-4-6-16(14)21(23)24/h3-11H,12H2,1-2H3,(H,19,22)/b18-11+.
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 390.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6877590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).