2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide

C24H30N4O5S — CID 55969865

IUPAC2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)C
InChIInChI=1S/C24H30N4O5S/c1-16(2)22(26-23(29)19-11-5-6-12-20(19)33-4)24(30)25-17-9-7-10-18(15-17)34(31,32)27-21-13-8-14-28(21)3/h5-7,9-12,15-16,22H,8,13-14H2,1-4H3,(H,25,30)(H,26,29)/b27-21-
InChIKeyRBYPLSMAUWLXCN-MEFGMAGPSA-N
MW486.59 g/mol
LogP2.90
Rot. Bonds8

About 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide

2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide (PubChem CID 55969865) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide
PubChem CID55969865
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)C
InChIInChI=1S/C24H30N4O5S/c1-16(2)22(26-23(29)19-11-5-6-12-20(19)33-4)24(30)25-17-9-7-10-18(15-17)34(31,32)27-21-13-8-14-28(21)3/h5-7,9-12,15-16,22H,8,13-14H2,1-4H3,(H,25,30)(H,26,29)/b27-21-
InChIKeyRBYPLSMAUWLXCN-MEFGMAGPSA-N
XLogP2.90
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide (CID 55969865) is 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide is COc1ccccc1C(=O)NC(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)C.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide?
The InChIKey is RBYPLSMAUWLXCN-MEFGMAGPSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-16(2)22(26-23(29)19-11-5-6-12-20(19)33-4)24(30)25-17-9-7-10-18(15-17)34(31,32)27-21-13-8-14-28(21)3/h5-7,9-12,15-16,22H,8,13-14H2,1-4H3,(H,25,30)(H,26,29)/b27-21-.
What are the key properties of 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide?
2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide has a molecular weight of 486.59 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55969865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).