tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate

C25H36N4O4S — CID 58208295

IUPACtert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cscc1CC(=O)c1ccc(CNCCCCN2CCOCC2)cn1
InChIInChI=1S/C25H36N4O4S/c1-25(2,3)33-24(31)28-22-18-34-17-20(22)14-23(30)21-7-6-19(16-27-21)15-26-8-4-5-9-29-10-12-32-13-11-29/h6-7,16-18,26H,4-5,8-15H2,1-3H3,(H,28,31)
InChIKeyMMQOPCKSBONWSF-UHFFFAOYSA-N
MW488.65 g/mol
LogP4.12
Rot. Bonds11

About tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate

tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate (PubChem CID 58208295) has the molecular formula C25H36N4O4S and a molecular weight of 488.65 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
PubChem CID58208295
Molecular FormulaC25H36N4O4S
Molecular Weight488.65 g/mol
Exact Mass488.25
IUPAC Nametert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cscc1CC(=O)c1ccc(CNCCCCN2CCOCC2)cn1
InChIInChI=1S/C25H36N4O4S/c1-25(2,3)33-24(31)28-22-18-34-17-20(22)14-23(30)21-7-6-19(16-27-21)15-26-8-4-5-9-29-10-12-32-13-11-29/h6-7,16-18,26H,4-5,8-15H2,1-3H3,(H,28,31)
InChIKeyMMQOPCKSBONWSF-UHFFFAOYSA-N
XLogP4.12
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[2-[5-[[4-morpholin-4-ylbutyl(2-phenylethylcarbamoyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208229
tert-butyl N-[4-[2-[5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208248
tert-butyl N-[4-[2-[5-[[cyclopentylcarbamoyl(2-pyrrolidin-1-ylethyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208202
tert-butyl N-[4-[[5-[[cyclopentylcarbamoyl(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carbonyl]amino]thiophen-3-yl]carbamate
CID 67054334
tert-butyl N-[4-[2-[4-[[3-morpholin-4-ylpropyl(2-phenylethylcarbamoyl)amino]methyl]phenyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208198
tert-butyl N-[4-[2-[5-[[cyclopentylcarbamoyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208150
tert-butyl N-[4-[[5-[[butan-2-ylcarbamoyl(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carbonyl]amino]thiophen-3-yl]carbamate
CID 67054128
tert-butyl N-[4-[[5-[5-morpholin-4-yl-1-(propylcarbamoylamino)pentyl]pyridine-2-carbonyl]amino]thiophen-3-yl]carbamate
CID 67054141
tert-butyl N-[2-[[5-[[3-morpholin-4-ylpropyl(propylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59224937
tert-butyl N-[4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208093
tert-butyl N-[4-[[5-[[[(2E,4E,6E)-2,7-difluoroocta-2,4,6-trien-4-yl]carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]pyridine-2-carbonyl]amino]thiophen-3-yl]carbamate
CID 143897005
tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate
CID 150097350

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate (CID 58208295) is tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate is CC(C)(C)OC(=O)Nc1cscc1CC(=O)c1ccc(CNCCCCN2CCOCC2)cn1.
What is the InChIKey of tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate?
The InChIKey is MMQOPCKSBONWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4S/c1-25(2,3)33-24(31)28-22-18-34-17-20(22)14-23(30)21-7-6-19(16-27-21)15-26-8-4-5-9-29-10-12-32-13-11-29/h6-7,16-18,26H,4-5,8-15H2,1-3H3,(H,28,31).
What are the key properties of tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate?
tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate has a molecular weight of 488.65 g/mol, XLogP of 4.12, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate is sourced from PubChem (CID 58208295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).