N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide

C22H23N3O4S — CID 55545886

IUPACN-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCOCCN(C(=O)c1cccc(NC(=O)C2CCCO2)c1)c1nc2ccccc2s1
InChIInChI=1S/C22H23N3O4S/c1-28-13-11-25(22-24-17-8-2-3-10-19(17)30-22)21(27)15-6-4-7-16(14-15)23-20(26)18-9-5-12-29-18/h2-4,6-8,10,14,18H,5,9,11-13H2,1H3,(H,23,26)
InChIKeyUNVDXJMFHDQFSP-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.71
Rot. Bonds7

About N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 55545886) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID55545886
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCOCCN(C(=O)c1cccc(NC(=O)C2CCCO2)c1)c1nc2ccccc2s1
InChIInChI=1S/C22H23N3O4S/c1-28-13-11-25(22-24-17-8-2-3-10-19(17)30-22)21(27)15-6-4-7-16(14-15)23-20(26)18-9-5-12-29-18/h2-4,6-8,10,14,18H,5,9,11-13H2,1H3,(H,23,26)
InChIKeyUNVDXJMFHDQFSP-UHFFFAOYSA-N
XLogP3.71
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide
CID 99795891
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55542670
N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42951709
N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42891560
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8780852
N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46635657
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 55545886) is N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide is COCCN(C(=O)c1cccc(NC(=O)C2CCCO2)c1)c1nc2ccccc2s1.
What is the InChIKey of N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is UNVDXJMFHDQFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-28-13-11-25(22-24-17-8-2-3-10-19(17)30-22)21(27)15-6-4-7-16(14-15)23-20(26)18-9-5-12-29-18/h2-4,6-8,10,14,18H,5,9,11-13H2,1H3,(H,23,26).
What are the key properties of N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55545886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).