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

C16H24N2O4S — CID 110720933

IUPACN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCN2CCCCS2(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-6-4-5-14(13-15)7-8-16(19)17-9-11-18-10-2-3-12-23(18,20)21/h4-6,13H,2-3,7-12H2,1H3,(H,17,19)
InChIKeyJAMHRRRVPZALMY-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.17
Rot. Bonds7

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

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 110720933) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
PubChem CID110720933
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCN2CCCCS2(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-6-4-5-14(13-15)7-8-16(19)17-9-11-18-10-2-3-12-23(18,20)21/h4-6,13H,2-3,7-12H2,1H3,(H,17,19)
InChIKeyJAMHRRRVPZALMY-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

3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110687859
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110716692
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
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
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
CID 110700679
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide (CID 110720933) is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCCN2CCCCS2(=O)=O)c1.
What is the InChIKey of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is JAMHRRRVPZALMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-15-6-4-5-14(13-15)7-8-16(19)17-9-11-18-10-2-3-12-23(18,20)21/h4-6,13H,2-3,7-12H2,1H3,(H,17,19).
What are the key properties of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)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 N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110720933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).