N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide

C32H38N4O3S — CID 67302413

IUPACN-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(CN3CCOCC3)nc2)cc1
InChIInChI=1S/C32H38N4O3S/c1-32(2,3)23-8-6-22(7-9-23)30(37)35-19-26-27(20-35)28(26)21-36(31(38)29-5-4-16-40-29)25-11-10-24(33-17-25)18-34-12-14-39-15-13-34/h4-11,16-17,26-28H,12-15,18-21H2,1-3H3
InChIKeySLCHLYGZILGZPK-UHFFFAOYSA-N
MW558.75 g/mol
LogP4.94
Rot. Bonds7

About N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide

N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 67302413) has the molecular formula C32H38N4O3S and a molecular weight of 558.75 g/mol. Its IUPAC name is N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID67302413
Molecular FormulaC32H38N4O3S
Molecular Weight558.75 g/mol
Exact Mass558.27
IUPAC NameN-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(CN3CCOCC3)nc2)cc1
InChIInChI=1S/C32H38N4O3S/c1-32(2,3)23-8-6-22(7-9-23)30(37)35-19-26-27(20-35)28(26)21-36(31(38)29-5-4-16-40-29)25-11-10-24(33-17-25)18-34-12-14-39-15-13-34/h4-11,16-17,26-28H,12-15,18-21H2,1-3H3
InChIKeySLCHLYGZILGZPK-UHFFFAOYSA-N
XLogP4.94
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.75
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide 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 N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide (CID 67302413) is N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide is CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(CN3CCOCC3)nc2)cc1.
What is the InChIKey of N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is SLCHLYGZILGZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O3S/c1-32(2,3)23-8-6-22(7-9-23)30(37)35-19-26-27(20-35)28(26)21-36(31(38)29-5-4-16-40-29)25-11-10-24(33-17-25)18-34-12-14-39-15-13-34/h4-11,16-17,26-28H,12-15,18-21H2,1-3H3.
What are the key properties of N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide?
N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 558.75 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 67302413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).