N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide

C27H27FN2O4S — CID 90061485

IUPACN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2cc(C(C)C)cc(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C27H27FN2O4S/c1-15(2)17-10-21(19-14-35-26-18(19)6-5-7-20(26)28)30-22(11-17)23(31)13-29-27(32)16-8-9-24(33-3)25(12-16)34-4/h5-12,14-15,23,31H,13H2,1-4H3,(H,29,32)
InChIKeyAKMSXDCQDNJEEA-UHFFFAOYSA-N
MW494.59 g/mol
LogP5.71
Rot. Bonds8

About N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide (PubChem CID 90061485) has the molecular formula C27H27FN2O4S and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
PubChem CID90061485
Molecular FormulaC27H27FN2O4S
Molecular Weight494.59 g/mol
Exact Mass494.17
IUPAC NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2cc(C(C)C)cc(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C27H27FN2O4S/c1-15(2)17-10-21(19-14-35-26-18(19)6-5-7-20(26)28)30-22(11-17)23(31)13-29-27(32)16-8-9-24(33-3)25(12-16)34-4/h5-12,14-15,23,31H,13H2,1-4H3,(H,29,32)
InChIKeyAKMSXDCQDNJEEA-UHFFFAOYSA-N
XLogP5.71
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide 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-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide (CID 90061485) is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(O)c2cc(C(C)C)cc(-c3csc4c(F)cccc34)n2)cc1OC.
What is the InChIKey of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The InChIKey is AKMSXDCQDNJEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O4S/c1-15(2)17-10-21(19-14-35-26-18(19)6-5-7-20(26)28)30-22(11-17)23(31)13-29-27(32)16-8-9-24(33-3)25(12-16)34-4/h5-12,14-15,23,31H,13H2,1-4H3,(H,29,32).
What are the key properties of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide has a molecular weight of 494.59 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90061485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).