N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C23H30N2O3S — CID 25162902

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc3c(s2)CCC(C)C3)N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-16-3-8-21-18(13-16)14-22(29-21)23(26)24-15-20(25-9-11-28-12-10-25)17-4-6-19(27-2)7-5-17/h4-7,14,16,20H,3,8-13,15H2,1-2H3,(H,24,26)
InChIKeySYZGBKACXPKNJR-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 25162902) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID25162902
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc3c(s2)CCC(C)C3)N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-16-3-8-21-18(13-16)14-22(29-21)23(26)24-15-20(25-9-11-28-12-10-25)17-4-6-19(27-2)7-5-17/h4-7,14,16,20H,3,8-13,15H2,1-2H3,(H,24,26)
InChIKeySYZGBKACXPKNJR-UHFFFAOYSA-N
XLogP3.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 25162902) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COc1ccc(C(CNC(=O)c2cc3c(s2)CCC(C)C3)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is SYZGBKACXPKNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-16-3-8-21-18(13-16)14-22(29-21)23(26)24-15-20(25-9-11-28-12-10-25)17-4-6-19(27-2)7-5-17/h4-7,14,16,20H,3,8-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25162902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).