N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide

C24H28N2O4S — CID 3692652

IUPACN-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)CC2(C)CCC4C(C)C(=O)OC4C2C3C)cc1
InChIInChI=1S/C24H28N2O4S/c1-12-16-9-10-24(3)11-17-19(13(2)18(24)20(16)30-22(12)28)25-23(31-17)26-21(27)14-5-7-15(29-4)8-6-14/h5-8,12-13,16,18,20H,9-11H2,1-4H3,(H,25,26,27)
InChIKeyFSLWIQWUZSYLBI-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.66
Rot. Bonds3

About N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide

N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide (PubChem CID 3692652) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide
PubChem CID3692652
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)CC2(C)CCC4C(C)C(=O)OC4C2C3C)cc1
InChIInChI=1S/C24H28N2O4S/c1-12-16-9-10-24(3)11-17-19(13(2)18(24)20(16)30-22(12)28)25-23(31-17)26-21(27)14-5-7-15(29-4)8-6-14/h5-8,12-13,16,18,20H,9-11H2,1-4H3,(H,25,26,27)
InChIKeyFSLWIQWUZSYLBI-UHFFFAOYSA-N
XLogP4.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide 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-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-methylbenzamide
CID 3553484
N-(8-methoxy-4,5-dihydronaphtho[1,2-d][1,3]thiazol-2-yl)-4-methylbenzamide
CID 4107575
2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 4107580
N-[(3S,3aS,5aS,10S,10aS,10bS)-3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl]-3,4,5-trimethoxybenzamide
CID 11866208
CID 16016035
CID 16016035
4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 4216138
N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-1,3-benzodioxole-5-carboxamide
CID 3684697
N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-2-(2-methoxyphenyl)acetamide
CID 4665555
N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,6-difluorobenzamide
CID 11883041
4-methoxy-N-(7-methoxy-4,5-dihydronaphtho[1,2-d][1,3]thiazol-2-yl)benzamide
CID 16012593
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 16016009
2,6-Difluoro-N-((3S,3aS,5aS,10S,10aS,10bS)-3,5a,10-trimethyl-2-oxo-2,3,3a,4,5,5a,6,10,10a,10b-decahydrofuro[3',2':7,8]naphtho[2,3-d]thiazol-8-yl)benzamide
CID 26763244

Frequently Asked Questions

What is the IUPAC name of N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide?
The IUPAC name of N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide (CID 3692652) is N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide?
The canonical SMILES for N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc3c(s2)CC2(C)CCC4C(C)C(=O)OC4C2C3C)cc1.
What is the InChIKey of N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide?
The InChIKey is FSLWIQWUZSYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-12-16-9-10-24(3)11-17-19(13(2)18(24)20(16)30-22(12)28)25-23(31-17)26-21(27)14-5-7-15(29-4)8-6-14/h5-8,12-13,16,18,20H,9-11H2,1-4H3,(H,25,26,27).
What are the key properties of N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide?
N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide has a molecular weight of 440.57 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5a,10-trimethyl-2-oxo-3,3a,4,5,6,10,10a,10b-octahydro-[1]benzofuro[7,6-f][1,3]benzothiazol-8-yl)-4-methoxybenzamide is sourced from PubChem (CID 3692652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).