N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C20H22N4O5S — CID 6902608

IUPACN-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H22N4O5S/c1-15(25)22-18-7-5-16(6-8-18)14-21-23-20(26)17-3-2-4-19(13-17)30(27,28)24-9-11-29-12-10-24/h2-8,13-14H,9-12H2,1H3,(H,22,25)(H,23,26)/b21-14+
InChIKeyMNPLFNOFDCZDFL-KGENOOAVSA-N
MW430.49 g/mol
LogP1.43
Rot. Bonds6

About N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 6902608) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID6902608
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC NameN-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H22N4O5S/c1-15(25)22-18-7-5-16(6-8-18)14-21-23-20(26)17-3-2-4-19(13-17)30(27,28)24-9-11-29-12-10-24/h2-8,13-14H,9-12H2,1H3,(H,22,25)(H,23,26)/b21-14+
InChIKeyMNPLFNOFDCZDFL-KGENOOAVSA-N
XLogP1.43
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
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-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 5201076
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
N-[4-(4-morpholinyl)phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide
CID 1034346
3-Methyl-N-[2-methyl-4-(morpholine-4-sulfonyl)-phenyl]-benzamide
CID 1051609
N-(4-Acetyl-phenyl)-4-methyl-3-(morpholine-4-sulfonyl)-benzamide
CID 1081950
N-(3-fluorophenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1379158
N-[4-(diethylsulfamoyl)phenyl]-4-(4-morpholinylmethyl)benzamide
CID 2207528
1-[(3-Morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylthiourea
CID 2327066
N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2329235
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2329908
N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2334392

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 6902608) is N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is CC(=O)Nc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MNPLFNOFDCZDFL-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-15(25)22-18-7-5-16(6-8-18)14-21-23-20(26)17-3-2-4-19(13-17)30(27,28)24-9-11-29-12-10-24/h2-8,13-14H,9-12H2,1H3,(H,22,25)(H,23,26)/b21-14+.
What are the key properties of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 430.49 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 6902608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).