N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide

C18H20ClN3O3S — CID 28589076

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESC/C(=N/NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-13-5-4-6-17(11-13)22(26(3,24)25)12-18(23)21-20-14(2)15-7-9-16(19)10-8-15/h4-11H,12H2,1-3H3,(H,21,23)/b20-14-
InChIKeySXXUIAWNXQHHNZ-ZHZULCJRSA-N
MW393.90 g/mol
LogP2.95
Rot. Bonds6

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 28589076) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID28589076
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESC/C(=N/NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-13-5-4-6-17(11-13)22(26(3,24)25)12-18(23)21-20-14(2)15-7-9-16(19)10-8-15/h4-11H,12H2,1-3H3,(H,21,23)/b20-14-
InChIKeySXXUIAWNXQHHNZ-ZHZULCJRSA-N
XLogP2.95
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.95
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

2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879603
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-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033899
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide
CID 3693486
N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342538
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]acetamide
CID 126030461
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033241
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 126133464
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43879267
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 28588338

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 28589076) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide is C/C(=N/NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is SXXUIAWNXQHHNZ-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-5-4-6-17(11-13)22(26(3,24)25)12-18(23)21-20-14(2)15-7-9-16(19)10-8-15/h4-11H,12H2,1-3H3,(H,21,23)/b20-14-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 393.90 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 28589076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).