N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

C20H26N2O6S2 — CID 55962464

IUPACN-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOc1cc(CNC(=O)C(C)NS(=O)(=O)c2cccs2)ccc1OCC1CCCO1
InChIInChI=1S/C20H26N2O6S2/c1-14(22-30(24,25)19-6-4-10-29-19)20(23)21-12-15-7-8-17(18(11-15)26-2)28-13-16-5-3-9-27-16/h4,6-8,10-11,14,16,22H,3,5,9,12-13H2,1-2H3,(H,21,23)
InChIKeyJVIYJALGCIALAL-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.30
Rot. Bonds10

About N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 55962464) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID55962464
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC NameN-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOc1cc(CNC(=O)C(C)NS(=O)(=O)c2cccs2)ccc1OCC1CCCO1
InChIInChI=1S/C20H26N2O6S2/c1-14(22-30(24,25)19-6-4-10-29-19)20(23)21-12-15-7-8-17(18(11-15)26-2)28-13-16-5-3-9-27-16/h4,6-8,10-11,14,16,22H,3,5,9,12-13H2,1-2H3,(H,21,23)
InChIKeyJVIYJALGCIALAL-UHFFFAOYSA-N
XLogP2.30
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46469803
N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 45204859
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
3-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 55708051
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55716163
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (CID 55962464) is N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is COc1cc(CNC(=O)C(C)NS(=O)(=O)c2cccs2)ccc1OCC1CCCO1.
What is the InChIKey of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is JVIYJALGCIALAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-14(22-30(24,25)19-6-4-10-29-19)20(23)21-12-15-7-8-17(18(11-15)26-2)28-13-16-5-3-9-27-16/h4,6-8,10-11,14,16,22H,3,5,9,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 454.57 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55962464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).