N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide

C25H23N3O6S — CID 2332353

IUPACN-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3nc(NC(=O)c4cc(OC)cc(OC)c4)sc3c2)c1
InChIInChI=1S/C25H23N3O6S/c1-31-17-7-14(8-18(12-17)32-2)23(29)26-16-5-6-21-22(11-16)35-25(27-21)28-24(30)15-9-19(33-3)13-20(10-15)34-4/h5-13H,1-4H3,(H,26,29)(H,27,28,30)
InChIKeyQCNDIBXMDOVTQC-UHFFFAOYSA-N
MW493.54 g/mol
LogP4.84
Rot. Bonds8

About N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide

N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide (PubChem CID 2332353) has the molecular formula C25H23N3O6S and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
PubChem CID2332353
Molecular FormulaC25H23N3O6S
Molecular Weight493.54 g/mol
Exact Mass493.13
IUPAC NameN-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3nc(NC(=O)c4cc(OC)cc(OC)c4)sc3c2)c1
InChIInChI=1S/C25H23N3O6S/c1-31-17-7-14(8-18(12-17)32-2)23(29)26-16-5-6-21-22(11-16)35-25(27-21)28-24(30)15-9-19(33-3)13-20(10-15)34-4/h5-13H,1-4H3,(H,26,29)(H,27,28,30)
InChIKeyQCNDIBXMDOVTQC-UHFFFAOYSA-N
XLogP4.84
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 3160184
N-[[2-[(3,5-dimethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3,5-dimethoxybenzamide
CID 5215569
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291148
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325764
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide (CID 2332353) is N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc3nc(NC(=O)c4cc(OC)cc(OC)c4)sc3c2)c1.
What is the InChIKey of N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide?
The InChIKey is QCNDIBXMDOVTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6S/c1-31-17-7-14(8-18(12-17)32-2)23(29)26-16-5-6-21-22(11-16)35-25(27-21)28-24(30)15-9-19(33-3)13-20(10-15)34-4/h5-13H,1-4H3,(H,26,29)(H,27,28,30).
What are the key properties of N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide?
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide has a molecular weight of 493.54 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 2332353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).