2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide

C20H23N3O4S — CID 2850045

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide
SMILESCOc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-27-18-13-11-17(12-14-18)23(28(25,26)19-9-3-2-4-10-19)15-20(24)22-21-16-7-5-6-8-16/h2-4,9-14H,5-8,15H2,1H3,(H,22,24)
InChIKeyGUORXOHZPNDAMP-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.94
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide (PubChem CID 2850045) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide
PubChem CID2850045
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide
SMILESCOc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-27-18-13-11-17(12-14-18)23(28(25,26)19-9-3-2-4-10-19)15-20(24)22-21-16-7-5-6-8-16/h2-4,9-14H,5-8,15H2,1H3,(H,22,24)
InChIKeyGUORXOHZPNDAMP-UHFFFAOYSA-N
XLogP2.94
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide (CID 2850045) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide is COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide?
The InChIKey is GUORXOHZPNDAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-27-18-13-11-17(12-14-18)23(28(25,26)19-9-3-2-4-10-19)15-20(24)22-21-16-7-5-6-8-16/h2-4,9-14H,5-8,15H2,1H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(cyclopentylideneamino)acetamide is sourced from PubChem (CID 2850045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).