2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide

C18H20N4O5S — CID 6882696

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(O)c2)cc1
InChIInChI=1S/C18H20N4O5S/c1-13(23)20-15-6-8-17(9-7-15)28(26,27)22(2)12-18(25)21-19-11-14-4-3-5-16(24)10-14/h3-11,24H,12H2,1-2H3,(H,20,23)(H,21,25)/b19-11+
InChIKeyAPSFSCBOPHBKOL-YBFXNURJSA-N
MW404.45 g/mol
LogP1.12
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 6882696) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
PubChem CID6882696
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(O)c2)cc1
InChIInChI=1S/C18H20N4O5S/c1-13(23)20-15-6-8-17(9-7-15)28(26,27)22(2)12-18(25)21-19-11-14-4-3-5-16(24)10-14/h3-11,24H,12H2,1-2H3,(H,20,23)(H,21,25)/b19-11+
InChIKeyAPSFSCBOPHBKOL-YBFXNURJSA-N
XLogP1.12
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.12
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide (CID 6882696) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(O)c2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is APSFSCBOPHBKOL-YBFXNURJSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-13(23)20-15-6-8-17(9-7-15)28(26,27)22(2)12-18(25)21-19-11-14-4-3-5-16(24)10-14/h3-11,24H,12H2,1-2H3,(H,20,23)(H,21,25)/b19-11+.
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 404.45 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6882696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).