ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate

C25H23F2NO4S — CID 151676105

IUPACethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CCc3ccccc3C2)csc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H23F2NO4S/c1-2-31-24(30)21-20(18-8-7-15-5-3-4-6-17(15)13-18)14-33-23(21)28-22(29)16-9-11-19(12-10-16)32-25(26)27/h3-6,9-12,14,18,25H,2,7-8,13H2,1H3,(H,28,29)
InChIKeyQZNYGTIPAJXULG-UHFFFAOYSA-N
MW471.53 g/mol
LogP6.05
Rot. Bonds7

About ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate

ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate (PubChem CID 151676105) has the molecular formula C25H23F2NO4S and a molecular weight of 471.53 g/mol. Its IUPAC name is ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
PubChem CID151676105
Molecular FormulaC25H23F2NO4S
Molecular Weight471.53 g/mol
Exact Mass471.13
IUPAC Nameethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CCc3ccccc3C2)csc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H23F2NO4S/c1-2-31-24(30)21-20(18-8-7-15-5-3-4-6-17(15)13-18)14-33-23(21)28-22(29)16-9-11-19(12-10-16)32-25(26)27/h3-6,9-12,14,18,25H,2,7-8,13H2,1H3,(H,28,29)
InChIKeyQZNYGTIPAJXULG-UHFFFAOYSA-N
XLogP6.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate with MolForge

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Related Compounds

2-[(4-methylbenzoyl)amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
CID 139396749
ethyl 4-cyclopropyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 51535452
ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4766214
iodo 2-[(4-methylsulfonylbenzoyl)amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 170279820
2-[[4-(2-methoxyethylamino)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
CID 139391521
2-[[4-(oxan-4-yloxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
CID 139391491
2-[[4-[ethyl(methylsulfanyl)amino]benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
CID 153334079
2-[[3-(propylamino)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
CID 159294573
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
ethyl 4-cyclopropyl-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylate
CID 52897079
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
ethyl 2-[[4-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxybenzoyl]amino]-4-phenylthiophene-3-carboxylate
CID 1193810

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate (CID 151676105) is ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate is CCOC(=O)c1c(C2CCc3ccccc3C2)csc1NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate?
The InChIKey is QZNYGTIPAJXULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO4S/c1-2-31-24(30)21-20(18-8-7-15-5-3-4-6-17(15)13-18)14-33-23(21)28-22(29)16-9-11-19(12-10-16)32-25(26)27/h3-6,9-12,14,18,25H,2,7-8,13H2,1H3,(H,28,29).
What are the key properties of ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate?
ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate has a molecular weight of 471.53 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(difluoromethoxy)benzoyl]amino]-4-(1,2,3,4-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 151676105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).