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

C19H20N2O2S2 — CID 100549830

IUPACN-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)CCSc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O2S2/c1-13(2)21-16-9-8-14(12-17(16)25-19(21)23)20-18(22)10-11-24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyWLLOGEGRLSFTEO-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.76
Rot. Bonds6

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

N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide (PubChem CID 100549830) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide
PubChem CID100549830
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)CCSc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O2S2/c1-13(2)21-16-9-8-14(12-17(16)25-19(21)23)20-18(22)10-11-24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyWLLOGEGRLSFTEO-UHFFFAOYSA-N
XLogP4.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.76
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)-4-phenoxybutanamide
CID 100554675
2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100560197
(2S)-2-benzylsulfanyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 100549791
(2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
CID 100559907
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
CID 133244909
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)butanamide
CID 100559058
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 100550008
2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100549925
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide
CID 100553668
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100550553
1-(2-methoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)urea
CID 100561516

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide (CID 100549830) is N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide is CC(C)n1c(=O)sc2cc(NC(=O)CCSc3ccccc3)ccc21.
What is the InChIKey of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide?
The InChIKey is WLLOGEGRLSFTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-13(2)21-16-9-8-14(12-17(16)25-19(21)23)20-18(22)10-11-24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide?
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide has a molecular weight of 372.52 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 100549830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).