N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

C20H18N4O4S2 — CID 2355884

IUPACN-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H18N4O4S2/c1-14(25)22-17-8-4-15(5-9-17)13-21-23-20(26)16-6-10-18(11-7-16)24-30(27,28)19-3-2-12-29-19/h2-13,24H,1H3,(H,22,25)(H,23,26)
InChIKeyPDZLYHAQHHESGQ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.27
Rot. Bonds7

About N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2355884) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2355884
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC NameN-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H18N4O4S2/c1-14(25)22-17-8-4-15(5-9-17)13-21-23-20(26)16-6-10-18(11-7-16)24-30(27,28)19-3-2-12-29-19/h2-13,24H,1H3,(H,22,25)(H,23,26)
InChIKeyPDZLYHAQHHESGQ-UHFFFAOYSA-N
XLogP3.27
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.27
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 N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 2355884) is N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is CC(=O)Nc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is PDZLYHAQHHESGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c1-14(25)22-17-8-4-15(5-9-17)13-21-23-20(26)16-6-10-18(11-7-16)24-30(27,28)19-3-2-12-29-19/h2-13,24H,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 442.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2355884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).