2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C26H35N3O3S — CID 55736426

IUPAC2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)Nc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C26H35N3O3S/c1-19-8-6-7-16-29(19)18-20-11-13-21(14-12-20)27-26(31)23(15-17-33-3)28-25(30)22-9-4-5-10-24(22)32-2/h4-5,9-14,19,23H,6-8,15-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyBREWGCYLGPRPFC-UHFFFAOYSA-N
MW469.65 g/mol
LogP4.56
Rot. Bonds10

About 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 55736426) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID55736426
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC Name2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)Nc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C26H35N3O3S/c1-19-8-6-7-16-29(19)18-20-11-13-21(14-12-20)27-26(31)23(15-17-33-3)28-25(30)22-9-4-5-10-24(22)32-2/h4-5,9-14,19,23H,6-8,15-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyBREWGCYLGPRPFC-UHFFFAOYSA-N
XLogP4.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 55736426) is 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is COc1ccccc1C(=O)NC(CCSC)C(=O)Nc1ccc(CN2CCCCC2C)cc1.
What is the InChIKey of 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is BREWGCYLGPRPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-19-8-6-7-16-29(19)18-20-11-13-21(14-12-20)27-26(31)23(15-17-33-3)28-25(30)22-9-4-5-10-24(22)32-2/h4-5,9-14,19,23H,6-8,15-18H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 469.65 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55736426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).