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

C18H19F3N2OS — CID 53171015

IUPAC5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)N1Cc2cc(C(=O)NCc3ccccc3C(F)(F)F)sc2C1
InChIInChI=1S/C18H19F3N2OS/c1-11(2)23-9-13-7-15(25-16(13)10-23)17(24)22-8-12-5-3-4-6-14(12)18(19,20)21/h3-7,11H,8-10H2,1-2H3,(H,22,24)
InChIKeyQVYNSMQMGKTSDC-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.42
Rot. Bonds4

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

5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171015) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171015
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)N1Cc2cc(C(=O)NCc3ccccc3C(F)(F)F)sc2C1
InChIInChI=1S/C18H19F3N2OS/c1-11(2)23-9-13-7-15(25-16(13)10-23)17(24)22-8-12-5-3-4-6-14(12)18(19,20)21/h3-7,11H,8-10H2,1-2H3,(H,22,24)
InChIKeyQVYNSMQMGKTSDC-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171015) is 5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CC(C)N1Cc2cc(C(=O)NCc3ccccc3C(F)(F)F)sc2C1.
What is the InChIKey of 5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is QVYNSMQMGKTSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c1-11(2)23-9-13-7-15(25-16(13)10-23)17(24)22-8-12-5-3-4-6-14(12)18(19,20)21/h3-7,11H,8-10H2,1-2H3,(H,22,24).
What are the key properties of 5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).