2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

C29H25Cl2N3O4S — CID 126010989

IUPAC2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H25Cl2N3O4S/c30-25-14-15-27(31)28(17-25)39(36,37)34(19-22-8-3-1-4-9-22)20-29(35)33-32-18-24-12-7-13-26(16-24)38-21-23-10-5-2-6-11-23/h1-18H,19-21H2,(H,33,35)/b32-18-
InChIKeyCERUVRSYJBKRAF-CAQPMQTCSA-N
MW582.51 g/mol
LogP5.91
Rot. Bonds11

About 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 126010989) has the molecular formula C29H25Cl2N3O4S and a molecular weight of 582.51 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID126010989
Molecular FormulaC29H25Cl2N3O4S
Molecular Weight582.51 g/mol
Exact Mass581.09
IUPAC Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H25Cl2N3O4S/c30-25-14-15-27(31)28(17-25)39(36,37)34(19-22-8-3-1-4-9-22)20-29(35)33-32-18-24-12-7-13-26(16-24)38-21-23-10-5-2-6-11-23/h1-18H,19-21H2,(H,33,35)/b32-18-
InChIKeyCERUVRSYJBKRAF-CAQPMQTCSA-N
XLogP5.91
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.51
LogP ≤ 55.91
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-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126022767
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126011864
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126062594
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92511280
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126372209
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 126116889
2-(2,5-dichlorophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3437752
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126375574
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6060424
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 9497459
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 126067339

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide (CID 126010989) is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is CERUVRSYJBKRAF-CAQPMQTCSA-N. The full InChI is InChI=1S/C29H25Cl2N3O4S/c30-25-14-15-27(31)28(17-25)39(36,37)34(19-22-8-3-1-4-9-22)20-29(35)33-32-18-24-12-7-13-26(16-24)38-21-23-10-5-2-6-11-23/h1-18H,19-21H2,(H,33,35)/b32-18-.
What are the key properties of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 582.51 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126010989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).