N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C26H28F3N3OS2 — CID 146656951

IUPACN-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCCSc1ccc(CNC(=O)c2cc3c(s2)C(C(C)C)N(Cc2ccc(C(F)(F)F)cc2)C3)nc1
InChIInChI=1S/C26H28F3N3OS2/c1-4-34-21-10-9-20(30-13-21)12-31-25(33)22-11-18-15-32(23(16(2)3)24(18)35-22)14-17-5-7-19(8-6-17)26(27,28)29/h5-11,13,16,23H,4,12,14-15H2,1-3H3,(H,31,33)
InChIKeyWXENZIJLNXOVSD-UHFFFAOYSA-N
MW519.66 g/mol
LogP6.92
Rot. Bonds8

About N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 146656951) has the molecular formula C26H28F3N3OS2 and a molecular weight of 519.66 g/mol. Its IUPAC name is N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID146656951
Molecular FormulaC26H28F3N3OS2
Molecular Weight519.66 g/mol
Exact Mass519.16
IUPAC NameN-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCCSc1ccc(CNC(=O)c2cc3c(s2)C(C(C)C)N(Cc2ccc(C(F)(F)F)cc2)C3)nc1
InChIInChI=1S/C26H28F3N3OS2/c1-4-34-21-10-9-20(30-13-21)12-31-25(33)22-11-18-15-32(23(16(2)3)24(18)35-22)14-17-5-7-19(8-6-17)26(27,28)29/h5-11,13,16,23H,4,12,14-15H2,1-3H3,(H,31,33)
InChIKeyWXENZIJLNXOVSD-UHFFFAOYSA-N
XLogP6.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.66
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 146656951) is N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CCSc1ccc(CNC(=O)c2cc3c(s2)C(C(C)C)N(Cc2ccc(C(F)(F)F)cc2)C3)nc1.
What is the InChIKey of N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is WXENZIJLNXOVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3OS2/c1-4-34-21-10-9-20(30-13-21)12-31-25(33)22-11-18-15-32(23(16(2)3)24(18)35-22)14-17-5-7-19(8-6-17)26(27,28)29/h5-11,13,16,23H,4,12,14-15H2,1-3H3,(H,31,33).
What are the key properties of N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 519.66 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylsulfanyl-2-pyridinyl)methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 146656951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).