4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C19H16ClN3O3S — CID 4989143

IUPAC4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16ClN3O3S/c1-11(24)21-15-9-17(26-2)13(8-14(15)20)18(25)23-19-22-16(10-27-19)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyWIVYSUVWRYZUJQ-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.68
Rot. Bonds5

About 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4989143) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID4989143
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16ClN3O3S/c1-11(24)21-15-9-17(26-2)13(8-14(15)20)18(25)23-19-22-16(10-27-19)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyWIVYSUVWRYZUJQ-UHFFFAOYSA-N
XLogP4.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 4989143) is 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is WIVYSUVWRYZUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-11(24)21-15-9-17(26-2)13(8-14(15)20)18(25)23-19-22-16(10-27-19)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 401.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4989143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).