N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide

C19H23N3O3S — CID 17423153

IUPACN-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C19H23N3O3S/c1-12(2)25-14-9-7-13(8-10-14)18(24)20-11-17(23)22-19-21-15-5-3-4-6-16(15)26-19/h7-10,12H,3-6,11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyUVKYJJXPIMSTBK-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.18
Rot. Bonds6

About N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide

N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 17423153) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide
PubChem CID17423153
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C19H23N3O3S/c1-12(2)25-14-9-7-13(8-10-14)18(24)20-11-17(23)22-19-21-15-5-3-4-6-16(15)26-19/h7-10,12H,3-6,11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyUVKYJJXPIMSTBK-UHFFFAOYSA-N
XLogP3.18
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide (CID 17423153) is N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is UVKYJJXPIMSTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12(2)25-14-9-7-13(8-10-14)18(24)20-11-17(23)22-19-21-15-5-3-4-6-16(15)26-19/h7-10,12H,3-6,11H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide?
N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 373.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17423153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).