(2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide

C20H22N2O3S — CID 100559907

IUPAC(2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C
InChIInChI=1S/C20H22N2O3S/c1-4-17(25-15-8-6-5-7-9-15)19(23)21-14-10-11-16-18(12-14)26-20(24)22(16)13(2)3/h5-13,17H,4H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyIKZMEZQIQKRCSW-KRWDZBQOSA-N
MW370.47 g/mol
LogP4.44
Rot. Bonds6

About (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide

(2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide (PubChem CID 100559907) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
PubChem CID100559907
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name(2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C
InChIInChI=1S/C20H22N2O3S/c1-4-17(25-15-8-6-5-7-9-15)19(23)21-14-10-11-16-18(12-14)26-20(24)22(16)13(2)3/h5-13,17H,4H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyIKZMEZQIQKRCSW-KRWDZBQOSA-N
XLogP4.44
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
CID 133244909
2-(3-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)butanamide
CID 133244822
(2R)-2-(2-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)butanamide
CID 100556926
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)butanamide
CID 100560006
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 100554675
(2R)-2-(4-methoxyphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100530558
(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide
CID 100544474
2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244800
(2S)-2-benzylsulfanyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 100549791
2-(2-methoxyphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244855
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
(2R)-2-(4-tert-butylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100547502

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide?
The IUPAC name of (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide (CID 100559907) is (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide is CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C.
What is the InChIKey of (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide?
The InChIKey is IKZMEZQIQKRCSW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-17(25-15-8-6-5-7-9-15)19(23)21-14-10-11-16-18(12-14)26-20(24)22(16)13(2)3/h5-13,17H,4H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide?
(2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide has a molecular weight of 370.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide is sourced from PubChem (CID 100559907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).