3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide

C16H24N2O4S — CID 110687859

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCN2CCCCS2(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-6-4-5-14(13-15)7-9-17-16(19)8-11-18-10-2-3-12-23(18,20)21/h4-6,13H,2-3,7-12H2,1H3,(H,17,19)
InChIKeyQIQCUMBUGIANAB-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.17
Rot. Bonds7

About 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide

3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 110687859) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID110687859
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCN2CCCCS2(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-6-4-5-14(13-15)7-9-17-16(19)8-11-18-10-2-3-12-23(18,20)21/h4-6,13H,2-3,7-12H2,1H3,(H,17,19)
InChIKeyQIQCUMBUGIANAB-UHFFFAOYSA-N
XLogP1.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110720933
3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109017963
N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342622
N-[2-(3-methoxyphenyl)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109025513
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-[2-(3-methoxyphenyl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78879278
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
CID 110700679
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985455
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 110687859) is 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCN2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is QIQCUMBUGIANAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-15-6-4-5-14(13-15)7-9-17-16(19)8-11-18-10-2-3-12-23(18,20)21/h4-6,13H,2-3,7-12H2,1H3,(H,17,19).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 340.44 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 110687859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).