N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide

C32H35F5N2O8 — CID 140767026

IUPACN-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide
SMILESCCN(CCO)C(=O)C1CCC([C@H]2C[C@@H](NC(=O)C3(C)COc4cc5c(cc43)OC(F)(F)O5)c3ccc(OC(F)(F)F)cc3O2)CC1
InChIInChI=1S/C32H35F5N2O8/c1-3-39(10-11-40)28(41)18-6-4-17(5-7-18)23-14-22(20-9-8-19(12-24(20)44-23)45-31(33,34)35)38-29(42)30(2)16-43-25-15-27-26(13-21(25)30)46-32(36,37)47-27/h8-9,12-13,15,17-18,22-23,40H,3-7,10-11,14,16H2,1-2H3,(H,38,42)/t17?,18?,22-,23-,30?/m1/s1
InChIKeyJAKNFKMSAUZXDH-LAILHOMPSA-N
MW670.63 g/mol
LogP5.21
Rot. Bonds8

About N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide

N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide (PubChem CID 140767026) has the molecular formula C32H35F5N2O8 and a molecular weight of 670.63 g/mol. Its IUPAC name is N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide
PubChem CID140767026
Molecular FormulaC32H35F5N2O8
Molecular Weight670.63 g/mol
Exact Mass670.23
IUPAC NameN-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide
SMILESCCN(CCO)C(=O)C1CCC([C@H]2C[C@@H](NC(=O)C3(C)COc4cc5c(cc43)OC(F)(F)O5)c3ccc(OC(F)(F)F)cc3O2)CC1
InChIInChI=1S/C32H35F5N2O8/c1-3-39(10-11-40)28(41)18-6-4-17(5-7-18)23-14-22(20-9-8-19(12-24(20)44-23)45-31(33,34)35)38-29(42)30(2)16-43-25-15-27-26(13-21(25)30)46-32(36,37)47-27/h8-9,12-13,15,17-18,22-23,40H,3-7,10-11,14,16H2,1-2H3,(H,38,42)/t17?,18?,22-,23-,30?/m1/s1
InChIKeyJAKNFKMSAUZXDH-LAILHOMPSA-N
XLogP5.21
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.63
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide?
The IUPAC name of N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide (CID 140767026) is N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide.
What is the SMILES notation for N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide?
The canonical SMILES for N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide is CCN(CCO)C(=O)C1CCC([C@H]2C[C@@H](NC(=O)C3(C)COc4cc5c(cc43)OC(F)(F)O5)c3ccc(OC(F)(F)F)cc3O2)CC1.
What is the InChIKey of N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide?
The InChIKey is JAKNFKMSAUZXDH-LAILHOMPSA-N. The full InChI is InChI=1S/C32H35F5N2O8/c1-3-39(10-11-40)28(41)18-6-4-17(5-7-18)23-14-22(20-9-8-19(12-24(20)44-23)45-31(33,34)35)38-29(42)30(2)16-43-25-15-27-26(13-21(25)30)46-32(36,37)47-27/h8-9,12-13,15,17-18,22-23,40H,3-7,10-11,14,16H2,1-2H3,(H,38,42)/t17?,18?,22-,23-,30?/m1/s1.
What are the key properties of N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide?
N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide has a molecular weight of 670.63 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-[4-[ethyl(2-hydroxyethyl)carbamoyl]cyclohexyl]-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide is sourced from PubChem (CID 140767026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).