N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C16H20N2O4S — CID 154758945

IUPACN-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1CN(C(=O)NCCc2cc3ccccc3o2)CCS1(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-12-11-18(8-9-23(12,20)21)16(19)17-7-6-14-10-13-4-2-3-5-15(13)22-14/h2-5,10,12H,6-9,11H2,1H3,(H,17,19)
InChIKeyWSALVDHRAJBCIW-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.80
Rot. Bonds3

About N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 154758945) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID154758945
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1CN(C(=O)NCCc2cc3ccccc3o2)CCS1(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-12-11-18(8-9-23(12,20)21)16(19)17-7-6-14-10-13-4-2-3-5-15(13)22-14/h2-5,10,12H,6-9,11H2,1H3,(H,17,19)
InChIKeyWSALVDHRAJBCIW-UHFFFAOYSA-N
XLogP1.80
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122003126
(3S,4S)-1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122003135
N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 126785553
N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 127902707
1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
CID 111444232
N-[2-(1-benzofuran-2-yl)ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119160770
2-[2-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]ethyl]-1-benzofuran-6-carboxylic acid
CID 167772979
(2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120934546
N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
CID 119799114
ethyl 4-[[N-[2-(1-benzofuran-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111775146
N-[2-(1-benzofuran-2-yl)ethyl]piperidine-2-carboxamide
CID 119332486
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-benzofuran-2-yl)ethyl]acetamide
CID 119799136

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 154758945) is N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC1CN(C(=O)NCCc2cc3ccccc3o2)CCS1(=O)=O.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is WSALVDHRAJBCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-11-18(8-9-23(12,20)21)16(19)17-7-6-14-10-13-4-2-3-5-15(13)22-14/h2-5,10,12H,6-9,11H2,1H3,(H,17,19).
What are the key properties of N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 154758945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).