3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane

C32H42N6O4S2 — CID 159826266

IUPAC3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane
SMILESC.CCCc1cc(N2CCC(NCC(O)c3ccc(S(=O)(=O)NCc4ccccc4)cc3)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C31H38N6O4S2.CH4/c1-2-6-22-17-26(36-31-27(22)28(32)29(42-31)30(33)39)37-15-13-23(14-16-37)34-19-25(38)21-9-11-24(12-10-21)43(40,41)35-18-20-7-4-3-5-8-20;/h3-5,7-12,17,23,25,34-35,38H,2,6,13-16,18-19,32H2,1H3,(H2,33,39);1H4
InChIKeyNMWKGKKCKIHYBU-UHFFFAOYSA-N
MW638.86 g/mol
LogP4.34
Rot. Bonds12

About 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane

3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane (PubChem CID 159826266) has the molecular formula C32H42N6O4S2 and a molecular weight of 638.86 g/mol. Its IUPAC name is 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane.

Molecular Properties

Compound Name3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane
PubChem CID159826266
Molecular FormulaC32H42N6O4S2
Molecular Weight638.86 g/mol
Exact Mass638.27
IUPAC Name3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane
SMILESC.CCCc1cc(N2CCC(NCC(O)c3ccc(S(=O)(=O)NCc4ccccc4)cc3)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C31H38N6O4S2.CH4/c1-2-6-22-17-26(36-31-27(22)28(32)29(42-31)30(33)39)37-15-13-23(14-16-37)34-19-25(38)21-9-11-24(12-10-21)43(40,41)35-18-20-7-4-3-5-8-20;/h3-5,7-12,17,23,25,34-35,38H,2,6,13-16,18-19,32H2,1H3,(H2,33,39);1H4
InChIKeyNMWKGKKCKIHYBU-UHFFFAOYSA-N
XLogP4.34
TPSA163.67 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.86
LogP ≤ 54.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane 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-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane?
The IUPAC name of 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane (CID 159826266) is 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane.
What is the SMILES notation for 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane?
The canonical SMILES for 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane is C.CCCc1cc(N2CCC(NCC(O)c3ccc(S(=O)(=O)NCc4ccccc4)cc3)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane?
The InChIKey is NMWKGKKCKIHYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O4S2.CH4/c1-2-6-22-17-26(36-31-27(22)28(32)29(42-31)30(33)39)37-15-13-23(14-16-37)34-19-25(38)21-9-11-24(12-10-21)43(40,41)35-18-20-7-4-3-5-8-20;/h3-5,7-12,17,23,25,34-35,38H,2,6,13-16,18-19,32H2,1H3,(H2,33,39);1H4.
What are the key properties of 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane?
3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane has a molecular weight of 638.86 g/mol, XLogP of 4.34, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[[2-[4-(benzylsulfamoyl)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane is sourced from PubChem (CID 159826266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).