(2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

C17H15ClN2O3S — CID 100532433

IUPAC(2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C17H15ClN2O3S/c1-10(23-13-5-3-4-11(18)8-13)16(21)19-12-6-7-14-15(9-12)24-17(22)20(14)2/h3-10H,1-2H3,(H,19,21)/t10-/m0/s1
InChIKeyLHBJPBDWCJBVNW-JTQLQIEISA-N
MW362.84 g/mol
LogP3.66
Rot. Bonds4

About (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

(2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (PubChem CID 100532433) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
PubChem CID100532433
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C17H15ClN2O3S/c1-10(23-13-5-3-4-11(18)8-13)16(21)19-12-6-7-14-15(9-12)24-17(22)20(14)2/h3-10H,1-2H3,(H,19,21)/t10-/m0/s1
InChIKeyLHBJPBDWCJBVNW-JTQLQIEISA-N
XLogP3.66
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide
CID 100531474
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
2-(4-chloro-3-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244908
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 133235010
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 42917725
6-[4-[(2S)-2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzothiazol-2-one
CID 95086867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (CID 100532433) is (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is LHBJPBDWCJBVNW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-10(23-13-5-3-4-11(18)8-13)16(21)19-12-6-7-14-15(9-12)24-17(22)20(14)2/h3-10H,1-2H3,(H,19,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 362.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 100532433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).