N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide

C25H23N3O6S — CID 17273906

IUPACN-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccc(OC)c(OC)c4)sc3c2)cc1OC
InChIInChI=1S/C25H23N3O6S/c1-31-18-9-5-14(11-20(18)33-3)23(29)26-16-7-8-17-22(13-16)35-25(27-17)28-24(30)15-6-10-19(32-2)21(12-15)34-4/h5-13H,1-4H3,(H,26,29)(H,27,28,30)
InChIKeyJCAFCSRSFUYHHC-UHFFFAOYSA-N
MW493.54 g/mol
LogP4.84
Rot. Bonds8

About N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide

N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide (PubChem CID 17273906) has the molecular formula C25H23N3O6S and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
PubChem CID17273906
Molecular FormulaC25H23N3O6S
Molecular Weight493.54 g/mol
Exact Mass493.13
IUPAC NameN-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccc(OC)c(OC)c4)sc3c2)cc1OC
InChIInChI=1S/C25H23N3O6S/c1-31-18-9-5-14(11-20(18)33-3)23(29)26-16-7-8-17-22(13-16)35-25(27-17)28-24(30)15-6-10-19(32-2)21(12-15)34-4/h5-13H,1-4H3,(H,26,29)(H,27,28,30)
InChIKeyJCAFCSRSFUYHHC-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

Analyze N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide with MolForge

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 55768753
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
CID 5239584
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3,4-dimethoxybenzamide
CID 2308587
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 46264270
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide (CID 17273906) is N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccc(OC)c(OC)c4)sc3c2)cc1OC.
What is the InChIKey of N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide?
The InChIKey is JCAFCSRSFUYHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6S/c1-31-18-9-5-14(11-20(18)33-3)23(29)26-16-7-8-17-22(13-16)35-25(27-17)28-24(30)15-6-10-19(32-2)21(12-15)34-4/h5-13H,1-4H3,(H,26,29)(H,27,28,30).
What are the key properties of N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide?
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-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-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 17273906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).