N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide

C26H24FNO3S2 — CID 110497146

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)NCC(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)sc2ccccc12
InChIInChI=1S/C26H24FNO3S2/c1-2-8-22-21-11-6-7-12-23(21)32-25(22)26(29)28-17-24(18-9-4-3-5-10-18)33(30,31)20-15-13-19(27)14-16-20/h3-7,9-16,24H,2,8,17H2,1H3,(H,28,29)
InChIKeyNZAMRSHFBPNOOP-UHFFFAOYSA-N
MW481.61 g/mol
LogP5.94
Rot. Bonds8

About N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide

N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide (PubChem CID 110497146) has the molecular formula C26H24FNO3S2 and a molecular weight of 481.61 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide
PubChem CID110497146
Molecular FormulaC26H24FNO3S2
Molecular Weight481.61 g/mol
Exact Mass481.12
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)NCC(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)sc2ccccc12
InChIInChI=1S/C26H24FNO3S2/c1-2-8-22-21-11-6-7-12-23(21)32-25(22)26(29)28-17-24(18-9-4-3-5-10-18)33(30,31)20-15-13-19(27)14-16-20/h3-7,9-16,24H,2,8,17H2,1H3,(H,28,29)
InChIKeyNZAMRSHFBPNOOP-UHFFFAOYSA-N
XLogP5.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.61
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide 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-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide (CID 110497146) is N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide is CCCc1c(C(=O)NCC(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)sc2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is NZAMRSHFBPNOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO3S2/c1-2-8-22-21-11-6-7-12-23(21)32-25(22)26(29)28-17-24(18-9-4-3-5-10-18)33(30,31)20-15-13-19(27)14-16-20/h3-7,9-16,24H,2,8,17H2,1H3,(H,28,29).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide?
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 481.61 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110497146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).