N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide

C20H26N2O2S — CID 46512703

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2s1
InChIInChI=1S/C20H26N2O2S/c23-19(18-14-16-6-2-3-7-17(16)25-18)21-15-20(8-4-1-5-9-20)22-10-12-24-13-11-22/h2-3,6-7,14H,1,4-5,8-13,15H2,(H,21,23)
InChIKeyGRTJICWYVLTJKF-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.67
Rot. Bonds4

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 46512703) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID46512703
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2s1
InChIInChI=1S/C20H26N2O2S/c23-19(18-14-16-6-2-3-7-17(16)25-18)21-15-20(8-4-1-5-9-20)22-10-12-24-13-11-22/h2-3,6-7,14H,1,4-5,8-13,15H2,(H,21,23)
InChIKeyGRTJICWYVLTJKF-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-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

Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 39910206
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 30255015
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-benzothiophene-2-carboxamide
CID 100701398
2-(4-fluorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 39430130

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide (CID 46512703) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2s1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GRTJICWYVLTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-19(18-14-16-6-2-3-7-17(16)25-18)21-15-20(8-4-1-5-9-20)22-10-12-24-13-11-22/h2-3,6-7,14H,1,4-5,8-13,15H2,(H,21,23).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 46512703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).