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

C27H25FN2O4S — CID 90061480

IUPACN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2cc(C(C)C)cc(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C27H25FN2O4S/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/h5-12,14-15H,13H2,1-4H3,(H,29,32)
InChIKeyYWVSWLBAYVIPGO-UHFFFAOYSA-N
MW492.57 g/mol
LogP5.86
Rot. Bonds8

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

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 90061480) has the molecular formula C27H25FN2O4S and a molecular weight of 492.57 g/mol. Its IUPAC name is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID90061480
Molecular FormulaC27H25FN2O4S
Molecular Weight492.57 g/mol
Exact Mass492.15
IUPAC NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2cc(C(C)C)cc(-c3csc4c(F)cccc34)n2)cc1OC
InChIInChI=1S/C27H25FN2O4S/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/h5-12,14-15H,13H2,1-4H3,(H,29,32)
InChIKeyYWVSWLBAYVIPGO-UHFFFAOYSA-N
XLogP5.86
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-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

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 41358726
3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003945
3-amino-N-(3,4-dimethoxyphenethyl)-4-(4-fluorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 1840309
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004073
3,4-dimethoxy-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide
CID 2156464
3,4-Dimethoxy-N-(2-{[2-(4-methoxyphenyl)-1H-indol-3-YL]sulfanyl}ethyl)benzamide
CID 2156543
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 156601359
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004124
N-(2,2-dimethylpropyl)-9-(3-fluorophenoxy)-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925945
N-[2-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 90043011
N-[2-[4-ethyl-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90043156
N-[2-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]benzamide
CID 90043803

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-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 90061480) is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-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-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-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-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is YWVSWLBAYVIPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O4S/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/h5-12,14-15H,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-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 492.57 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 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-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90061480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).