2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide

C18H21N3O3S — CID 43879603

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21N3O3S/c1-14-8-7-11-17(12-14)21(25(3,23)24)13-18(22)20-19-15(2)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3,(H,20,22)/b19-15+
InChIKeyZFSIWRMPSPQPPT-XDJHFCHBSA-N
MW359.45 g/mol
LogP2.30
Rot. Bonds6

About 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide

2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide (PubChem CID 43879603) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
PubChem CID43879603
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21N3O3S/c1-14-8-7-11-17(12-14)21(25(3,23)24)13-18(22)20-19-15(2)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3,(H,20,22)/b19-15+
InChIKeyZFSIWRMPSPQPPT-XDJHFCHBSA-N
XLogP2.30
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589076
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589050
N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43879610
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide
CID 3693486
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]acetamide
CID 126030461
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033899
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 126133464
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 92644319
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879032
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589040
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 3111592
N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589064

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide (CID 43879603) is 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide is C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
The InChIKey is ZFSIWRMPSPQPPT-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-8-7-11-17(12-14)21(25(3,23)24)13-18(22)20-19-15(2)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3,(H,20,22)/b19-15+.
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide is sourced from PubChem (CID 43879603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).