N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide

C30H27Cl2N3O5S — CID 126033715

IUPACN-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
SMILESCCOc1cc(/C=N\NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C30H27Cl2N3O5S/c1-2-39-29-18-22(11-16-28(29)40-21-23-7-6-8-25(32)17-23)19-33-34-30(36)20-35(26-9-4-3-5-10-26)41(37,38)27-14-12-24(31)13-15-27/h3-19H,2,20-21H2,1H3,(H,34,36)/b33-19-
InChIKeyBNVWPLQMVJVZGK-APTWKGOFSA-N
MW612.54 g/mol
LogP6.32
Rot. Bonds12

About N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide

N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide (PubChem CID 126033715) has the molecular formula C30H27Cl2N3O5S and a molecular weight of 612.54 g/mol. Its IUPAC name is N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
PubChem CID126033715
Molecular FormulaC30H27Cl2N3O5S
Molecular Weight612.54 g/mol
Exact Mass611.10
IUPAC NameN-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
SMILESCCOc1cc(/C=N\NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C30H27Cl2N3O5S/c1-2-39-29-18-22(11-16-28(29)40-21-23-7-6-8-25(32)17-23)19-33-34-30(36)20-35(26-9-4-3-5-10-26)41(37,38)27-14-12-24(31)13-15-27/h3-19H,2,20-21H2,1H3,(H,34,36)/b33-19-
InChIKeyBNVWPLQMVJVZGK-APTWKGOFSA-N
XLogP6.32
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.54
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6092433
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
CID 98078059
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126035694
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 126030266
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126124484
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 43876812
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6032431
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 124535426
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126140931
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 43880953
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 126068787
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126035479

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide (CID 126033715) is N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide is CCOc1cc(/C=N\NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
The InChIKey is BNVWPLQMVJVZGK-APTWKGOFSA-N. The full InChI is InChI=1S/C30H27Cl2N3O5S/c1-2-39-29-18-22(11-16-28(29)40-21-23-7-6-8-25(32)17-23)19-33-34-30(36)20-35(26-9-4-3-5-10-26)41(37,38)27-14-12-24(31)13-15-27/h3-19H,2,20-21H2,1H3,(H,34,36)/b33-19-.
What are the key properties of N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide has a molecular weight of 612.54 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126033715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).