2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide

C19H23N3O5S — CID 5031717

IUPAC2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1C=NNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C19H23N3O5S/c1-14-9-10-17(27-4)18(11-14)28(24,25)22(2)13-19(23)21-20-12-15-7-5-6-8-16(15)26-3/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyIFPCBOBMNFOOOQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.78
Rot. Bonds8

About 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 5031717) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
PubChem CID5031717
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1C=NNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C19H23N3O5S/c1-14-9-10-17(27-4)18(11-14)28(24,25)22(2)13-19(23)21-20-12-15-7-5-6-8-16(15)26-3/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyIFPCBOBMNFOOOQ-UHFFFAOYSA-N
XLogP1.78
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.78
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

N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 3301873
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3251589
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 5005673
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 93032636
N-[(E)-(4-bromophenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 92929443
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92961553
N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 4261913
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 4035968
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126372103
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6289402
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92963296

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide (CID 5031717) is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide is COc1ccccc1C=NNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is IFPCBOBMNFOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-14-9-10-17(27-4)18(11-14)28(24,25)22(2)13-19(23)21-20-12-15-7-5-6-8-16(15)26-3/h5-12H,13H2,1-4H3,(H,21,23).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide?
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 405.48 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5031717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).