N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide

C17H19F2NO4S — CID 95346191

IUPACN-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
SMILESO=C(C[C@@H]1C=CS(=O)(=O)C1)N[C@@H]1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C17H19F2NO4S/c18-17(19)24-13-4-5-14-12(9-13)2-1-3-15(14)20-16(21)8-11-6-7-25(22,23)10-11/h4-7,9,11,15,17H,1-3,8,10H2,(H,20,21)/t11-,15+/m0/s1
InChIKeyUEGCOXLUWOYLNP-XHDPSFHLSA-N
MW371.41 g/mol
LogP2.73
Rot. Bonds5

About N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide

N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide (PubChem CID 95346191) has the molecular formula C17H19F2NO4S and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
PubChem CID95346191
Molecular FormulaC17H19F2NO4S
Molecular Weight371.41 g/mol
Exact Mass371.10
IUPAC NameN-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
SMILESO=C(C[C@@H]1C=CS(=O)(=O)C1)N[C@@H]1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C17H19F2NO4S/c18-17(19)24-13-4-5-14-12(9-13)2-1-3-15(14)20-16(21)8-11-6-7-25(22,23)10-11/h4-7,9,11,15,17H,1-3,8,10H2,(H,20,21)/t11-,15+/m0/s1
InChIKeyUEGCOXLUWOYLNP-XHDPSFHLSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide 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

N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride
CID 120590890
1-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119310236
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95346227
N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 51128788
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
3-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-propylpropanamide
CID 86870829
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86872906
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide;hydrochloride
CID 119310232
1-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454981
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide?
The IUPAC name of N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide (CID 95346191) is N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide.
What is the SMILES notation for N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide?
The canonical SMILES for N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide is O=C(C[C@@H]1C=CS(=O)(=O)C1)N[C@@H]1CCCc2cc(OC(F)F)ccc21.
What is the InChIKey of N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide?
The InChIKey is UEGCOXLUWOYLNP-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H19F2NO4S/c18-17(19)24-13-4-5-14-12(9-13)2-1-3-15(14)20-16(21)8-11-6-7-25(22,23)10-11/h4-7,9,11,15,17H,1-3,8,10H2,(H,20,21)/t11-,15+/m0/s1.
What are the key properties of N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide?
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide has a molecular weight of 371.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide is sourced from PubChem (CID 95346191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).