N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C21H23F3N2O5S — CID 71454137

IUPACN-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCOCC(C)(C)NC(=O)c1c(NC(=O)c2ccccc2OC(F)(F)F)sc2c1CCOC2
InChIInChI=1S/C21H23F3N2O5S/c1-20(2,11-29-3)26-18(28)16-13-8-9-30-10-15(13)32-19(16)25-17(27)12-6-4-5-7-14(12)31-21(22,23)24/h4-7H,8-11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyBBCHHCOEPRSMOS-UHFFFAOYSA-N
MW472.49 g/mol
LogP4.13
Rot. Bonds7

About N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 71454137) has the molecular formula C21H23F3N2O5S and a molecular weight of 472.49 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID71454137
Molecular FormulaC21H23F3N2O5S
Molecular Weight472.49 g/mol
Exact Mass472.13
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCOCC(C)(C)NC(=O)c1c(NC(=O)c2ccccc2OC(F)(F)F)sc2c1CCOC2
InChIInChI=1S/C21H23F3N2O5S/c1-20(2,11-29-3)26-18(28)16-13-8-9-30-10-15(13)32-19(16)25-17(27)12-6-4-5-7-14(12)31-21(22,23)24/h4-7H,8-11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyBBCHHCOEPRSMOS-UHFFFAOYSA-N
XLogP4.13
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide 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-(2-methylphenyl)-2-(2,2,3,3,3-pentafluoropropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 135363016
2-[(2-ethylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450304
(6S)-2-[(2-methoxybenzoyl)amino]-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7474919
2-[(2-methoxybenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3146628
[2-[[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]phenyl] acetate
CID 18883685
2-[(2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4293700
tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 167900659
2-[(3,5-diethylbicyclo[2.2.0]hexane-1-carbonyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 162685445
methyl (6R)-2-[(2-methoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1219260
(6R)-2-[(2-methoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673594
methyl 2-[[2-(2-phenoxyethoxy)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4954303
methyl 2-[[2-(2-ethoxyethoxy)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 17122703

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 71454137) is N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is COCC(C)(C)NC(=O)c1c(NC(=O)c2ccccc2OC(F)(F)F)sc2c1CCOC2.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is BBCHHCOEPRSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O5S/c1-20(2,11-29-3)26-18(28)16-13-8-9-30-10-15(13)32-19(16)25-17(27)12-6-4-5-7-14(12)31-21(22,23)24/h4-7H,8-11H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 472.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 71454137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).