N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide

C21H22N2O4S — CID 20971831

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc3c(c2C)-c2nc(C)sc2CC3)c(OC)c1
InChIInChI=1S/C21H22N2O4S/c1-11-18-15(7-8-17-19(18)23-12(2)28-17)27-20(11)21(24)22-10-13-5-6-14(25-3)9-16(13)26-4/h5-6,9H,7-8,10H2,1-4H3,(H,22,24)
InChIKeyZXXQKOLAAGWAGR-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.07
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (PubChem CID 20971831) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
PubChem CID20971831
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc3c(c2C)-c2nc(C)sc2CC3)c(OC)c1
InChIInChI=1S/C21H22N2O4S/c1-11-18-15(7-8-17-19(18)23-12(2)28-17)27-20(11)21(24)22-10-13-5-6-14(25-3)9-16(13)26-4/h5-6,9H,7-8,10H2,1-4H3,(H,22,24)
InChIKeyZXXQKOLAAGWAGR-UHFFFAOYSA-N
XLogP4.07
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide with MolForge

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Related Compounds

2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
CID 20971834
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619175
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 20887552
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
N-[(2,4-dimethoxyphenyl)methyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide
CID 15994887
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide
CID 141373361
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 23654372

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (CID 20971831) is N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is COc1ccc(CNC(=O)c2oc3c(c2C)-c2nc(C)sc2CC3)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The InChIKey is ZXXQKOLAAGWAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-11-18-15(7-8-17-19(18)23-12(2)28-17)27-20(11)21(24)22-10-13-5-6-14(25-3)9-16(13)26-4/h5-6,9H,7-8,10H2,1-4H3,(H,22,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is sourced from PubChem (CID 20971831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).