3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

C19H17N3O4S — CID 17361080

IUPAC3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C19H17N3O4S/c1-25-13-9-12(10-14(11-13)26-2)17(23)21-16-6-4-3-5-15(16)18(24)22-19-20-7-8-27-19/h3-11H,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyUPORICXLLHGAJG-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.66
Rot. Bonds6

About 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 17361080) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
PubChem CID17361080
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C19H17N3O4S/c1-25-13-9-12(10-14(11-13)26-2)17(23)21-16-6-4-3-5-15(16)18(24)22-19-20-7-8-27-19/h3-11H,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyUPORICXLLHGAJG-UHFFFAOYSA-N
XLogP3.66
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-4-methoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361254
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
CID 17311565
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103
2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361272
2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361130
2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17358961
2-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 1301072
2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361278
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (CID 17361080) is 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)Nc2nccs2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is UPORICXLLHGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-25-13-9-12(10-14(11-13)26-2)17(23)21-16-6-4-3-5-15(16)18(24)22-19-20-7-8-27-19/h3-11H,1-2H3,(H,21,23)(H,20,22,24).
What are the key properties of 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 383.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17361080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).