N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide

C29H31FN2O2S — CID 3289592

IUPACN-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)(C)N(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C29H31FN2O2S/c1-29(2,3)32(28(34)24-17-23(24)19-7-5-4-6-8-19)18-26(33)31-15-13-25-22(14-16-35-25)27(31)20-9-11-21(30)12-10-20/h4-12,14,16,23-24,27H,13,15,17-18H2,1-3H3
InChIKeyGCZBRBWNRCDPHQ-UHFFFAOYSA-N
MW490.64 g/mol
LogP5.79
Rot. Bonds5

About N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide

N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 3289592) has the molecular formula C29H31FN2O2S and a molecular weight of 490.64 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID3289592
Molecular FormulaC29H31FN2O2S
Molecular Weight490.64 g/mol
Exact Mass490.21
IUPAC NameN-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)(C)N(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C29H31FN2O2S/c1-29(2,3)32(28(34)24-17-23(24)19-7-5-4-6-8-19)18-26(33)31-15-13-25-22(14-16-35-25)27(31)20-9-11-21(30)12-10-20/h4-12,14,16,23-24,27H,13,15,17-18H2,1-3H3
InChIKeyGCZBRBWNRCDPHQ-UHFFFAOYSA-N
XLogP5.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.64
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

(E)-N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 6176852
N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxybenzamide
CID 42664985
N,4-ditert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 4544001
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide
CID 3558562
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 3921440
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 3252684
(E)-N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenylprop-2-enamide
CID 6078219
N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 5175359
N-(3-methoxypropyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 3421553
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3981123
N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide
CID 5033394
2-(tert-butylamino)-1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 811400

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide (CID 3289592) is N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide is CC(C)(C)N(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)C1CC1c1ccccc1.
What is the InChIKey of N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is GCZBRBWNRCDPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O2S/c1-29(2,3)32(28(34)24-17-23(24)19-7-5-4-6-8-19)18-26(33)31-15-13-25-22(14-16-35-25)27(31)20-9-11-21(30)12-10-20/h4-12,14,16,23-24,27H,13,15,17-18H2,1-3H3.
What are the key properties of N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide?
N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 490.64 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3289592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).