N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide

C24H22N4O4S — CID 46326085

IUPACN-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1cccc(CNC(=O)Nc2cc(OC)c3nc(NC(=O)c4ccccc4)sc3c2)c1
InChIInChI=1S/C24H22N4O4S/c1-31-18-10-6-7-15(11-18)14-25-23(30)26-17-12-19(32-2)21-20(13-17)33-24(27-21)28-22(29)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H2,25,26,30)(H,27,28,29)
InChIKeyQJPBWCOFFDMZAB-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.89
Rot. Bonds7

About N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide

N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46326085) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide
PubChem CID46326085
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1cccc(CNC(=O)Nc2cc(OC)c3nc(NC(=O)c4ccccc4)sc3c2)c1
InChIInChI=1S/C24H22N4O4S/c1-31-18-10-6-7-15(11-18)14-25-23(30)26-17-12-19(32-2)21-20(13-17)33-24(27-21)28-22(29)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H2,25,26,30)(H,27,28,29)
InChIKeyQJPBWCOFFDMZAB-UHFFFAOYSA-N
XLogP4.89
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide 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-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326077
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
CID 46291080
N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326080
N-[4-methoxy-6-[(2-phenylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 46291081
ethyl 2-[(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]benzoate
CID 46326065
3-bromo-N-[4-methoxy-6-(oxidoamino)-1,3-benzothiazol-2-yl]benzamide
CID 143038272
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325720
N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325696
N-[6-[(3,4,5-trimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325858
1-benzyl-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081082
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide (CID 46326085) is N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide is COc1cccc(CNC(=O)Nc2cc(OC)c3nc(NC(=O)c4ccccc4)sc3c2)c1.
What is the InChIKey of N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is QJPBWCOFFDMZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-31-18-10-6-7-15(11-18)14-25-23(30)26-17-12-19(32-2)21-20(13-17)33-24(27-21)28-22(29)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H2,25,26,30)(H,27,28,29).
What are the key properties of N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide?
N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 462.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46326085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).