N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide

C23H20N2O4S — CID 3161492

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1
InChIInChI=1S/C23H20N2O4S/c1-27-16-10-15(11-17(13-16)28-2)22(26)24-19-12-14(8-9-20(19)29-3)23-25-18-6-4-5-7-21(18)30-23/h4-13H,1-3H3,(H,24,26)
InChIKeyZXONSZNBFHUADD-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.24
Rot. Bonds6

About N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide (PubChem CID 3161492) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide
PubChem CID3161492
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1
InChIInChI=1S/C23H20N2O4S/c1-27-16-10-15(11-17(13-16)28-2)22(26)24-19-12-14(8-9-20(19)29-3)23-25-18-6-4-5-7-21(18)30-23/h4-13H,1-3H3,(H,24,26)
InChIKeyZXONSZNBFHUADD-UHFFFAOYSA-N
XLogP5.24
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide
CID 934737
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide
CID 4136782
N-(2-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 1085962
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 1090025
2-[1-(3,4,5-Trimethoxybenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 8751879
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1086033
N-[4-(1,3-benzothiazol-2-yl)benzyl]-3-methoxybenzamide
CID 979776
N-[4-(1,3-benzothiazol-2-yl)benzyl]-4-methoxybenzamide
CID 979778
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 979779
3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide
CID 2114850
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-fluorobenzamide
CID 2222013
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(3-methylphenoxy)acetamide
CID 2223465

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide (CID 3161492) is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide?
The InChIKey is ZXONSZNBFHUADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-27-16-10-15(11-17(13-16)28-2)22(26)24-19-12-14(8-9-20(19)29-3)23-25-18-6-4-5-7-21(18)30-23/h4-13H,1-3H3,(H,24,26).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide?
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide has a molecular weight of 420.49 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 3161492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).