4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

C17H14F2N2O4S — CID 31892120

IUPAC4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3c(OC)cccc3s2)ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O4S/c1-23-11-4-3-5-13-14(11)20-17(26-13)21-15(22)9-6-7-10(25-16(18)19)12(8-9)24-2/h3-8,16H,1-2H3,(H,20,21,22)
InChIKeyPBCWDRRLVMJKAJ-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.17
Rot. Bonds6

About 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 31892120) has the molecular formula C17H14F2N2O4S and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID31892120
Molecular FormulaC17H14F2N2O4S
Molecular Weight380.37 g/mol
Exact Mass380.06
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3c(OC)cccc3s2)ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O4S/c1-23-11-4-3-5-13-14(11)20-17(26-13)21-15(22)9-6-7-10(25-16(18)19)12(8-9)24-2/h3-8,16H,1-2H3,(H,20,21,22)
InChIKeyPBCWDRRLVMJKAJ-UHFFFAOYSA-N
XLogP4.17
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-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-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
CID 173125975
4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 8882972
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24586156
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 26469303
4-(difluoromethoxy)-3-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863411

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 31892120) is 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc3c(OC)cccc3s2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is PBCWDRRLVMJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4S/c1-23-11-4-3-5-13-14(11)20-17(26-13)21-15(22)9-6-7-10(25-16(18)19)12(8-9)24-2/h3-8,16H,1-2H3,(H,20,21,22).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 380.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 31892120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).