N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide

C28H29FN2O2S — CID 67673783

IUPACN-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
SMILESCCN(C(=O)c1ccccc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1cccc(SC)c1
InChIInChI=1S/C28H29FN2O2S/c1-3-31(23-7-6-8-24(19-23)34-2)28(33)25-9-4-5-10-26(25)30-17-15-21(16-18-30)27(32)20-11-13-22(29)14-12-20/h4-14,19,21H,3,15-18H2,1-2H3
InChIKeyYZRVRCSFSVCNSL-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.31
Rot. Bonds7

About N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide

N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 67673783) has the molecular formula C28H29FN2O2S and a molecular weight of 476.62 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
PubChem CID67673783
Molecular FormulaC28H29FN2O2S
Molecular Weight476.62 g/mol
Exact Mass476.19
IUPAC NameN-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
SMILESCCN(C(=O)c1ccccc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1cccc(SC)c1
InChIInChI=1S/C28H29FN2O2S/c1-3-31(23-7-6-8-24(19-23)34-2)28(33)25-9-4-5-10-26(25)30-17-15-21(16-18-30)27(32)20-11-13-22(29)14-12-20/h4-14,19,21H,3,15-18H2,1-2H3
InChIKeyYZRVRCSFSVCNSL-UHFFFAOYSA-N
XLogP6.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide (CID 67673783) is N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide is CCN(C(=O)c1ccccc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1cccc(SC)c1.
What is the InChIKey of N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is YZRVRCSFSVCNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O2S/c1-3-31(23-7-6-8-24(19-23)34-2)28(33)25-9-4-5-10-26(25)30-17-15-21(16-18-30)27(32)20-11-13-22(29)14-12-20/h4-14,19,21H,3,15-18H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide?
N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 476.62 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 67673783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).