(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide

C17H26N2O5S — CID 95335268

IUPAC(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(CO[C@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C17H26N2O5S/c1-14(24-13-15-4-3-5-16(12-15)23-2)17(20)18-6-7-19-8-10-25(21,22)11-9-19/h3-5,12,14H,6-11,13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyIIPNPXZIXBXYOY-CQSZACIVSA-N
MW370.47 g/mol
LogP0.45
Rot. Bonds8

About (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide

(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide (PubChem CID 95335268) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
PubChem CID95335268
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(CO[C@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C17H26N2O5S/c1-14(24-13-15-4-3-5-16(12-15)23-2)17(20)18-6-7-19-8-10-25(21,22)11-9-19/h3-5,12,14H,6-11,13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyIIPNPXZIXBXYOY-CQSZACIVSA-N
XLogP0.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
CID 94174701
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 94024614
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111251731
2-[(3-methoxyphenyl)methoxy]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599675
(2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95981358
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
(2S)-2-[(3-methoxyphenyl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94024629
2-[(3-methoxyphenyl)methoxy]-N-[2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 47036184
(2S,3S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-3-methylpentanoic acid
CID 119193748
methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate
CID 46450947

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The IUPAC name of (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide (CID 95335268) is (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide is COc1cccc(CO[C@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)c1.
What is the InChIKey of (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The InChIKey is IIPNPXZIXBXYOY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-14(24-13-15-4-3-5-16(12-15)23-2)17(20)18-6-7-19-8-10-25(21,22)11-9-19/h3-5,12,14H,6-11,13H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide has a molecular weight of 370.47 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 95335268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).