N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide

C24H22N4O4S — CID 30461854

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2sc(N(CCn3cccn3)C(=O)c3cc4cccc(OC)c4o3)nc12
InChIInChI=1S/C24H22N4O4S/c1-3-31-17-8-5-10-20-21(17)26-24(33-20)28(14-13-27-12-6-11-25-27)23(29)19-15-16-7-4-9-18(30-2)22(16)32-19/h4-12,15H,3,13-14H2,1-2H3
InChIKeyHABJCBYQPDQWKH-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.99
Rot. Bonds8

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 30461854) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID30461854
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2sc(N(CCn3cccn3)C(=O)c3cc4cccc(OC)c4o3)nc12
InChIInChI=1S/C24H22N4O4S/c1-3-31-17-8-5-10-20-21(17)26-24(33-20)28(14-13-27-12-6-11-25-27)23(29)19-15-16-7-4-9-18(30-2)22(16)32-19/h4-12,15H,3,13-14H2,1-2H3
InChIKeyHABJCBYQPDQWKH-UHFFFAOYSA-N
XLogP4.99
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide
CID 30461966
N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888163
N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 29195160
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 30461951
2,4-dichloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 30461910
7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 29195239
7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 40889997
N-(4-ethyl-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40889723
2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30461812
N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888229
7-ethoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 16939346
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888038

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide (CID 30461854) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide is CCOc1cccc2sc(N(CCn3cccn3)C(=O)c3cc4cccc(OC)c4o3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HABJCBYQPDQWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-3-31-17-8-5-10-20-21(17)26-24(33-20)28(14-13-27-12-6-11-25-27)23(29)19-15-16-7-4-9-18(30-2)22(16)32-19/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 30461854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).