N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

C16H18ClN3O2S — CID 3683934

IUPACN-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCC(C)(C)N(CC(=O)Nc1nccs1)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2S/c1-16(2,3)20(10-13(21)19-15-18-8-9-23-15)14(22)11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H,18,19,21)
InChIKeyIQZGRUOOPUGJHN-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.68
Rot. Bonds4

About N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 3683934) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID3683934
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCC(C)(C)N(CC(=O)Nc1nccs1)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2S/c1-16(2,3)20(10-13(21)19-15-18-8-9-23-15)14(22)11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H,18,19,21)
InChIKeyIQZGRUOOPUGJHN-UHFFFAOYSA-N
XLogP3.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (CID 3683934) is N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is CC(C)(C)N(CC(=O)Nc1nccs1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is IQZGRUOOPUGJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-16(2,3)20(10-13(21)19-15-18-8-9-23-15)14(22)11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H,18,19,21).
What are the key properties of N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 351.86 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 3683934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).