2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

C30H27Cl2N3O4S — CID 126022767

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C30H27Cl2N3O4S/c31-26-14-15-28(32)29(19-26)40(37,38)35(17-16-23-8-3-1-4-9-23)21-30(36)34-33-20-25-12-7-13-27(18-25)39-22-24-10-5-2-6-11-24/h1-15,18-20H,16-17,21-22H2,(H,34,36)/b33-20-
InChIKeySRKRGWFPFUXSBM-UCMJSZAQSA-N
MW596.54 g/mol
LogP5.96
Rot. Bonds12

About 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 126022767) has the molecular formula C30H27Cl2N3O4S and a molecular weight of 596.54 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID126022767
Molecular FormulaC30H27Cl2N3O4S
Molecular Weight596.54 g/mol
Exact Mass595.11
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C30H27Cl2N3O4S/c31-26-14-15-28(32)29(19-26)40(37,38)35(17-16-23-8-3-1-4-9-23)21-30(36)34-33-20-25-12-7-13-27(18-25)39-22-24-10-5-2-6-11-24/h1-15,18-20H,16-17,21-22H2,(H,34,36)/b33-20-
InChIKeySRKRGWFPFUXSBM-UCMJSZAQSA-N
XLogP5.96
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126010989
methyl 4-[(Z)-[[2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 126019406
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92511280
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126011864
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 126375515
2-(2,5-dichlorophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3437752
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126062594
N-(2,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016543
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126375574
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126372209
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide (CID 126022767) is 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is SRKRGWFPFUXSBM-UCMJSZAQSA-N. The full InChI is InChI=1S/C30H27Cl2N3O4S/c31-26-14-15-28(32)29(19-26)40(37,38)35(17-16-23-8-3-1-4-9-23)21-30(36)34-33-20-25-12-7-13-27(18-25)39-22-24-10-5-2-6-11-24/h1-15,18-20H,16-17,21-22H2,(H,34,36)/b33-20-.
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 596.54 g/mol, XLogP of 5.96, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126022767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).