N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide

C16H16N2O4S2 — CID 56518765

IUPACN-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCS(=O)(=O)CC1)c1cccs1
InChIInChI=1S/C16H16N2O4S2/c19-15(14-6-3-9-23-14)17-13-5-2-1-4-12(13)16(20)18-7-10-24(21,22)11-8-18/h1-6,9H,7-8,10-11H2,(H,17,19)
InChIKeyWELVZIBIYOIFFF-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.87
Rot. Bonds3

About N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide

N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 56518765) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID56518765
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCS(=O)(=O)CC1)c1cccs1
InChIInChI=1S/C16H16N2O4S2/c19-15(14-6-3-9-23-14)17-13-5-2-1-4-12(13)16(20)18-7-10-24(21,22)11-8-18/h1-6,9H,7-8,10-11H2,(H,17,19)
InChIKeyWELVZIBIYOIFFF-UHFFFAOYSA-N
XLogP1.87
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 4948035
N-[2-(1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119415438
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]thiophene-2-carboxamide
CID 119636218
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4933178
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 120806601
N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
CID 55948792
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone
CID 61400654
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 51147954
N-[2-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55599260
N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 46536303
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234930

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide (CID 56518765) is N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCS(=O)(=O)CC1)c1cccs1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is WELVZIBIYOIFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c19-15(14-6-3-9-23-14)17-13-5-2-1-4-12(13)16(20)18-7-10-24(21,22)11-8-18/h1-6,9H,7-8,10-11H2,(H,17,19).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide?
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 56518765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).