5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

C19H24ClN3O2S — CID 86288040

IUPAC5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2nccs2)c1C)C1CCOCC1
InChIInChI=1S/C19H24ClN3O2S/c1-3-23(15-4-7-25-8-5-15)17-11-14(20)10-16(13(17)2)19(24)22-12-18-21-6-9-26-18/h6,9-11,15H,3-5,7-8,12H2,1-2H3,(H,22,24)
InChIKeyIPWQNQZKWXLSJQ-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.04
Rot. Bonds6

About 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 86288040) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID86288040
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2nccs2)c1C)C1CCOCC1
InChIInChI=1S/C19H24ClN3O2S/c1-3-23(15-4-7-25-8-5-15)17-11-14(20)10-16(13(17)2)19(24)22-12-18-21-6-9-26-18/h6,9-11,15H,3-5,7-8,12H2,1-2H3,(H,22,24)
InChIKeyIPWQNQZKWXLSJQ-UHFFFAOYSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 86288040) is 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is CCN(c1cc(Cl)cc(C(=O)NCc2nccs2)c1C)C1CCOCC1.
What is the InChIKey of 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is IPWQNQZKWXLSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-3-23(15-4-7-25-8-5-15)17-11-14(20)10-16(13(17)2)19(24)22-12-18-21-6-9-26-18/h6,9-11,15H,3-5,7-8,12H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 393.94 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 86288040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).