4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide

C24H27FN2O4S — CID 134025251

IUPAC4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)sc2cccc(F)c12
InChIInChI=1S/C24H27FN2O4S/c1-29-15-18-22-19(25)4-3-5-21(22)32-23(18)24(28)26-14-20(27-10-12-31-13-11-27)16-6-8-17(30-2)9-7-16/h3-9,20H,10-15H2,1-2H3,(H,26,28)
InChIKeyLQOAWYUTHYDRPC-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.00
Rot. Bonds8

About 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide (PubChem CID 134025251) has the molecular formula C24H27FN2O4S and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide
PubChem CID134025251
Molecular FormulaC24H27FN2O4S
Molecular Weight458.56 g/mol
Exact Mass458.17
IUPAC Name4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)sc2cccc(F)c12
InChIInChI=1S/C24H27FN2O4S/c1-29-15-18-22-19(25)4-3-5-21(22)32-23(18)24(28)26-14-20(27-10-12-31-13-11-27)16-6-8-17(30-2)9-7-16/h3-9,20H,10-15H2,1-2H3,(H,26,28)
InChIKeyLQOAWYUTHYDRPC-UHFFFAOYSA-N
XLogP4.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 24538284
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
2-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 18161663
5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51878966
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 31429944
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
2-[[[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119252995
N-(2-amino-2-methylpropyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 119626513
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide (CID 134025251) is 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide is COCc1c(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is LQOAWYUTHYDRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4S/c1-29-15-18-22-19(25)4-3-5-21(22)32-23(18)24(28)26-14-20(27-10-12-31-13-11-27)16-6-8-17(30-2)9-7-16/h3-9,20H,10-15H2,1-2H3,(H,26,28).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 134025251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).