N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride

C25H29Cl2N3O4S — CID 44916672

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCOc1cccc2cc(C(=O)N(CCN(CC)CC)c3nc4c(OC)ccc(Cl)c4s3)oc12.Cl
InChIInChI=1S/C25H28ClN3O4S.ClH/c1-5-28(6-2)13-14-29(25-27-21-18(31-4)12-11-17(26)23(21)34-25)24(30)20-15-16-9-8-10-19(32-7-3)22(16)33-20;/h8-12,15H,5-7,13-14H2,1-4H3;1H
InChIKeyYJVQWVXDFPADGY-UHFFFAOYSA-N
MW538.50 g/mol
LogP6.51
Rot. Bonds10

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 44916672) has the molecular formula C25H29Cl2N3O4S and a molecular weight of 538.50 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID44916672
Molecular FormulaC25H29Cl2N3O4S
Molecular Weight538.50 g/mol
Exact Mass537.13
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCOc1cccc2cc(C(=O)N(CCN(CC)CC)c3nc4c(OC)ccc(Cl)c4s3)oc12.Cl
InChIInChI=1S/C25H28ClN3O4S.ClH/c1-5-28(6-2)13-14-29(25-27-21-18(31-4)12-11-17(26)23(21)34-25)24(30)20-15-16-9-8-10-19(32-7-3)22(16)33-20;/h8-12,15H,5-7,13-14H2,1-4H3;1H
InChIKeyYJVQWVXDFPADGY-UHFFFAOYSA-N
XLogP6.51
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.50
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride 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-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide;hydrochloride
CID 44916510
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888038
N-[3-(dimethylamino)propyl]-7-ethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 44916635
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-methylbenzamide
CID 41076274
N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888163
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 40889801
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
CID 41076398
N-[2-(diethylamino)ethyl]-7-ethoxy-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888119
N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 40887996
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
CID 44919550
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 44916045
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
CID 43962649

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride (CID 44916672) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride is CCOc1cccc2cc(C(=O)N(CCN(CC)CC)c3nc4c(OC)ccc(Cl)c4s3)oc12.Cl.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is YJVQWVXDFPADGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4S.ClH/c1-5-28(6-2)13-14-29(25-27-21-18(31-4)12-11-17(26)23(21)34-25)24(30)20-15-16-9-8-10-19(32-7-3)22(16)33-20;/h8-12,15H,5-7,13-14H2,1-4H3;1H.
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 538.50 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-ethoxy-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 44916672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).