N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

C20H28N2O3S — CID 53188087

IUPACN-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
SMILESO=C(NC1CCCCC1)C1CCc2sc(C(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C20H28N2O3S/c23-19(21-16-4-2-1-3-5-16)14-6-7-17-15(12-14)13-18(26-17)20(24)22-8-10-25-11-9-22/h13-14,16H,1-12H2,(H,21,23)
InChIKeyWOMKMNKJPGVTCP-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.77
Rot. Bonds3

About N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide (PubChem CID 53188087) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
PubChem CID53188087
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
SMILESO=C(NC1CCCCC1)C1CCc2sc(C(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C20H28N2O3S/c23-19(21-16-4-2-1-3-5-16)14-6-7-17-15(12-14)13-18(26-17)20(24)22-8-10-25-11-9-22/h13-14,16H,1-12H2,(H,21,23)
InChIKeyWOMKMNKJPGVTCP-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide (CID 53188087) is N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide is O=C(NC1CCCCC1)C1CCc2sc(C(=O)N3CCOCC3)cc2C1.
What is the InChIKey of N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide?
The InChIKey is WOMKMNKJPGVTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-19(21-16-4-2-1-3-5-16)14-6-7-17-15(12-14)13-18(26-17)20(24)22-8-10-25-11-9-22/h13-14,16H,1-12H2,(H,21,23).
What are the key properties of N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide?
N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 53188087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).