2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide

C24H24ClN5O3S — CID 91192774

IUPAC2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
SMILESCOc1cc2c(Oc3ccc(C4CCCCC4C(=O)Nc4nn[nH]n4)cc3Cl)csc2cc1C
InChIInChI=1S/C24H24ClN5O3S/c1-13-9-22-17(11-20(13)32-2)21(12-34-22)33-19-8-7-14(10-18(19)25)15-5-3-4-6-16(15)23(31)26-24-27-29-30-28-24/h7-12,15-16H,3-6H2,1-2H3,(H2,26,27,28,29,30,31)
InChIKeyFWDKPJUVVIOFST-UHFFFAOYSA-N
MW498.01 g/mol
LogP6.09
Rot. Bonds6

About 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide

2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 91192774) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
PubChem CID91192774
Molecular FormulaC24H24ClN5O3S
Molecular Weight498.01 g/mol
Exact Mass497.13
IUPAC Name2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
SMILESCOc1cc2c(Oc3ccc(C4CCCCC4C(=O)Nc4nn[nH]n4)cc3Cl)csc2cc1C
InChIInChI=1S/C24H24ClN5O3S/c1-13-9-22-17(11-20(13)32-2)21(12-34-22)33-19-8-7-14(10-18(19)25)15-5-3-4-6-16(15)23(31)26-24-27-29-30-28-24/h7-12,15-16H,3-6H2,1-2H3,(H2,26,27,28,29,30,31)
InChIKeyFWDKPJUVVIOFST-UHFFFAOYSA-N
XLogP6.09
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.01
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-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 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide (CID 91192774) is 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide is COc1cc2c(Oc3ccc(C4CCCCC4C(=O)Nc4nn[nH]n4)cc3Cl)csc2cc1C.
What is the InChIKey of 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is FWDKPJUVVIOFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-13-9-22-17(11-20(13)32-2)21(12-34-22)33-19-8-7-14(10-18(19)25)15-5-3-4-6-16(15)23(31)26-24-27-29-30-28-24/h7-12,15-16H,3-6H2,1-2H3,(H2,26,27,28,29,30,31).
What are the key properties of 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 498.01 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[(5-methoxy-6-methyl-1-benzothiophen-3-yl)oxy]phenyl]-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91192774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).