N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

C16H20N4O5S — CID 110622992

IUPACN-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2noc(C)n2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C16H20N4O5S/c1-11-17-15(19-25-11)10-16(21)18-12-5-6-14(24-2)13(9-12)20-7-3-4-8-26(20,22)23/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyZVPNHNJQQKKHRD-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.50
Rot. Bonds5

About N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 110622992) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID110622992
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC NameN-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2noc(C)n2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C16H20N4O5S/c1-11-17-15(19-25-11)10-16(21)18-12-5-6-14(24-2)13(9-12)20-7-3-4-8-26(20,22)23/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyZVPNHNJQQKKHRD-UHFFFAOYSA-N
XLogP1.50
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110622991
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622867
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110623013
2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide
CID 112505906
N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 110303605
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613173
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110629432
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110621311
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110422441
N-cycloheptyl-N'-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]oxamide
CID 45492358
2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide
CID 110353572
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55732569

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 110622992) is N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is COc1ccc(NC(=O)Cc2noc(C)n2)cc1N1CCCCS1(=O)=O.
What is the InChIKey of N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is ZVPNHNJQQKKHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-11-17-15(19-25-11)10-16(21)18-12-5-6-14(24-2)13(9-12)20-7-3-4-8-26(20,22)23/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 380.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110622992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).