N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide

C21H18N2O3S2 — CID 71890144

IUPACN-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C21H18N2O3S2/c1-23(2)21(25)12-8-9-15(26-3)14(10-12)22-20(24)18-11-17-19(28-18)13-6-4-5-7-16(13)27-17/h4-11H,1-3H3,(H,22,24)
InChIKeyOUEXGMUKZBWATQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.08
Rot. Bonds4

About N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide

N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide (PubChem CID 71890144) has the molecular formula C21H18N2O3S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide
PubChem CID71890144
Molecular FormulaC21H18N2O3S2
Molecular Weight410.52 g/mol
Exact Mass410.08
IUPAC NameN-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C21H18N2O3S2/c1-23(2)21(25)12-8-9-15(26-3)14(10-12)22-20(24)18-11-17-19(28-18)13-6-4-5-7-16(13)27-17/h4-11H,1-3H3,(H,22,24)
InChIKeyOUEXGMUKZBWATQ-UHFFFAOYSA-N
XLogP5.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide 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

4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
CID 94630116
2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
CID 55893583
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 55892689
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[3,2-b][1]benzothiole-2-carboxamide
CID 112815044
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 8838723
4-methoxy-N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
CID 60537647
N-(2,5-dimethoxyphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20855954
N-(4-chloro-2-nitrophenyl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 5196279
3-[3-(5-iodofuran-2-yl)prop-2-enoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 76866550

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide?
The IUPAC name of N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide (CID 71890144) is N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide?
The canonical SMILES for N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2sc3ccccc3c2s1.
What is the InChIKey of N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide?
The InChIKey is OUEXGMUKZBWATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S2/c1-23(2)21(25)12-8-9-15(26-3)14(10-12)22-20(24)18-11-17-19(28-18)13-6-4-5-7-16(13)27-17/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide?
N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]thieno[3,2-b][1]benzothiole-2-carboxamide is sourced from PubChem (CID 71890144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).