(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide

C18H18N2O2S — CID 845796

IUPAC(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1nc2ccc(OC)cc2s1)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-3-14(12-7-5-4-6-8-12)17(21)20-18-19-15-10-9-13(22-2)11-16(15)23-18/h4-11,14H,3H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyQPUNPERLMNHKEY-CQSZACIVSA-N
MW326.42 g/mol
LogP4.44
Rot. Bonds5

About (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide

(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide (PubChem CID 845796) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
PubChem CID845796
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1nc2ccc(OC)cc2s1)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-3-14(12-7-5-4-6-8-12)17(21)20-18-19-15-10-9-13(22-2)11-16(15)23-18/h4-11,14H,3H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyQPUNPERLMNHKEY-CQSZACIVSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 2948680
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 1273299
(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
CID 61173509
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)hexanamide
CID 4036340
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
4-[(S)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 110876919
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylbutanamide
CID 23998107
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide?
The IUPAC name of (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide (CID 845796) is (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide?
The canonical SMILES for (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide is CC[C@@H](C(=O)Nc1nc2ccc(OC)cc2s1)c1ccccc1.
What is the InChIKey of (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide?
The InChIKey is QPUNPERLMNHKEY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-14(12-7-5-4-6-8-12)17(21)20-18-19-15-10-9-13(22-2)11-16(15)23-18/h4-11,14H,3H2,1-2H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide?
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide has a molecular weight of 326.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 845796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).