3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C24H28N4O4S2 — CID 10300631

IUPAC3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4cccnc4)CC3)s2)c1
InChIInChI=1S/C24H28N4O4S2/c1-32-21-6-2-5-19(14-21)24(29)27-17-22-7-8-23(33-22)34(30,31)28-12-9-20(10-13-28)26-16-18-4-3-11-25-15-18/h2-8,11,14-15,20,26H,9-10,12-13,16-17H2,1H3,(H,27,29)
InChIKeyKNBKWCCNNOOXPL-UHFFFAOYSA-N
MW500.65 g/mol
LogP3.02
Rot. Bonds9

About 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 10300631) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID10300631
Molecular FormulaC24H28N4O4S2
Molecular Weight500.65 g/mol
Exact Mass500.16
IUPAC Name3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4cccnc4)CC3)s2)c1
InChIInChI=1S/C24H28N4O4S2/c1-32-21-6-2-5-19(14-21)24(29)27-17-22-7-8-23(33-22)34(30,31)28-12-9-20(10-13-28)26-16-18-4-3-11-25-15-18/h2-8,11,14-15,20,26H,9-10,12-13,16-17H2,1H3,(H,27,29)
InChIKeyKNBKWCCNNOOXPL-UHFFFAOYSA-N
XLogP3.02
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 10300631) is 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4cccnc4)CC3)s2)c1.
What is the InChIKey of 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is KNBKWCCNNOOXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2/c1-32-21-6-2-5-19(14-21)24(29)27-17-22-7-8-23(33-22)34(30,31)28-12-9-20(10-13-28)26-16-18-4-3-11-25-15-18/h2-8,11,14-15,20,26H,9-10,12-13,16-17H2,1H3,(H,27,29).
What are the key properties of 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 500.65 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[5-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 10300631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).