(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

C19H25NO6S — CID 124765204

IUPAC(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OC[C@@H](O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H25NO6S/c1-24-17-4-6-18(7-5-17)26-13-16(21)11-20(12-19-3-2-9-25-19)15-8-10-27(22,23)14-15/h2-7,9,15-16,21H,8,10-14H2,1H3/t15-,16-/m0/s1
InChIKeyZDTUMLCYHOQMSJ-HOTGVXAUSA-N
MW395.48 g/mol
LogP1.72
Rot. Bonds9

About (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 124765204) has the molecular formula C19H25NO6S and a molecular weight of 395.48 g/mol. Its IUPAC name is (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID124765204
Molecular FormulaC19H25NO6S
Molecular Weight395.48 g/mol
Exact Mass395.14
IUPAC Name(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OC[C@@H](O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H25NO6S/c1-24-17-4-6-18(7-5-17)26-13-16(21)11-20(12-19-3-2-9-25-19)15-8-10-27(22,23)14-15/h2-7,9,15-16,21H,8,10-14H2,1H3/t15-,16-/m0/s1
InChIKeyZDTUMLCYHOQMSJ-HOTGVXAUSA-N
XLogP1.72
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 124765100
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(naphthalen-1-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 124764964
(2S)-1-(4-chlorophenoxy)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-ethoxyphenyl)methyl]amino]propan-2-ol
CID 39834870
(2S)-1-[(4-tert-butylphenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-chlorophenoxy)propan-2-ol
CID 39834866
(2S)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163974
1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 107263830
1-(furan-2-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 117246167
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(methylcarbamoyl)acetamide
CID 94016788
N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
CID 18154589
N-cyclopentyl-2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]acetamide
CID 38370943
4-[[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]methyl]benzonitrile
CID 42919726
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (CID 124765204) is (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OC[C@@H](O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is ZDTUMLCYHOQMSJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H25NO6S/c1-24-17-4-6-18(7-5-17)26-13-16(21)11-20(12-19-3-2-9-25-19)15-8-10-27(22,23)14-15/h2-7,9,15-16,21H,8,10-14H2,1H3/t15-,16-/m0/s1.
What are the key properties of (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 395.48 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 124765204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).