N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide

C24H24N2O4S2 — CID 30706870

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCOc1ccc2nc(N(Cc3ccco3)C(=O)CCSc3ccc(OC)cc3)sc2c1
InChIInChI=1S/C24H24N2O4S2/c1-3-29-18-8-11-21-22(15-18)32-24(25-21)26(16-19-5-4-13-30-19)23(27)12-14-31-20-9-6-17(28-2)7-10-20/h4-11,13,15H,3,12,14,16H2,1-2H3
InChIKeyZOAQUVKMEWOZEH-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.01
Rot. Bonds10

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 30706870) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID30706870
Molecular FormulaC24H24N2O4S2
Molecular Weight468.60 g/mol
Exact Mass468.12
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCOc1ccc2nc(N(Cc3ccco3)C(=O)CCSc3ccc(OC)cc3)sc2c1
InChIInChI=1S/C24H24N2O4S2/c1-3-29-18-8-11-21-22(15-18)32-24(25-21)26(16-19-5-4-13-30-19)23(27)12-14-31-20-9-6-17(28-2)7-10-20/h4-11,13,15H,3,12,14,16H2,1-2H3
InChIKeyZOAQUVKMEWOZEH-UHFFFAOYSA-N
XLogP6.01
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide 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-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylsulfanylbutanamide
CID 30706826
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324589
3-(4-chlorophenyl)sulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)propanamide
CID 30708067
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanylpropanamide
CID 30708433
N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849746
3-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30706380
4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30706375
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30706405
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41085675
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 44949115
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 41347055
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 44949141

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide (CID 30706870) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide is CCOc1ccc2nc(N(Cc3ccco3)C(=O)CCSc3ccc(OC)cc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is ZOAQUVKMEWOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c1-3-29-18-8-11-21-22(15-18)32-24(25-21)26(16-19-5-4-13-30-19)23(27)12-14-31-20-9-6-17(28-2)7-10-20/h4-11,13,15H,3,12,14,16H2,1-2H3.
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 468.60 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 30706870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).