N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide

C16H14N2O2S2 — CID 71681203

IUPACN-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1
InChIInChI=1S/C16H14N2O2S2/c19-13(8-4-7-11-5-2-1-3-6-11)17-16-18-14-12(9-10-21-14)15(20)22-16/h1-3,5-6,9-10H,4,7-8H2,(H,17,18,19)
InChIKeyIYRBFSDYGUWBKM-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.68
Rot. Bonds5

About N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide

N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide (PubChem CID 71681203) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide
PubChem CID71681203
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1
InChIInChI=1S/C16H14N2O2S2/c19-13(8-4-7-11-5-2-1-3-6-11)17-16-18-14-12(9-10-21-14)15(20)22-16/h1-3,5-6,9-10H,4,7-8H2,(H,17,18,19)
InChIKeyIYRBFSDYGUWBKM-UHFFFAOYSA-N
XLogP3.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
CID 71681053
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
CID 847079
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
CID 71683092
N'-hydroxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]hexanediamide
CID 56944798
4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78883201
S-[7-oxo-7-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)heptyl] 3-phenylpropanethioate
CID 163270050
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 17444449

Frequently Asked Questions

What is the IUPAC name of N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide?
The IUPAC name of N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide (CID 71681203) is N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide?
The canonical SMILES for N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1.
What is the InChIKey of N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide?
The InChIKey is IYRBFSDYGUWBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c19-13(8-4-7-11-5-2-1-3-6-11)17-16-18-14-12(9-10-21-14)15(20)22-16/h1-3,5-6,9-10H,4,7-8H2,(H,17,18,19).
What are the key properties of N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide?
N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide has a molecular weight of 330.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 71681203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).