N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide

C25H27FN2O3S — CID 3590601

IUPACN-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C25H27FN2O3S/c1-16-17(2)32-25(27-24(29)19-6-10-21(30-3)11-7-19)22(16)23(28-12-14-31-15-13-28)18-4-8-20(26)9-5-18/h4-11,23H,12-15H2,1-3H3,(H,27,29)
InChIKeyDNZIAVZTLXZHRE-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.19
Rot. Bonds6

About N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide

N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide (PubChem CID 3590601) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
PubChem CID3590601
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC NameN-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C25H27FN2O3S/c1-16-17(2)32-25(27-24(29)19-6-10-21(30-3)11-7-19)22(16)23(28-12-14-31-15-13-28)18-4-8-20(26)9-5-18/h4-11,23H,12-15H2,1-3H3,(H,27,29)
InChIKeyDNZIAVZTLXZHRE-UHFFFAOYSA-N
XLogP5.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethyl-3-[(S)-morpholin-4-yl(phenyl)methyl]thiophen-2-yl]-4-methoxybenzamide
CID 1382592
N-[3-[(R)-(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
CID 1179711
4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1382607
4-methoxy-N-[3-[(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4173376
N-[3-[(S)-(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416567
N-[3-[(R)-(4-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 42373623
N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416603
N-[3-[(R)-(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416593
N-[3-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxyphenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1178728
N-[4,5-dimethyl-3-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide
CID 46740101
N-[4,5-dimethyl-3-[(R)-(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]thiophene-2-carboxamide
CID 93479067
N-[3-[(4-benzylpiperidin-1-yl)-(4-fluorophenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4672709

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide (CID 3590601) is N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2sc(C)c(C)c2C(c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide?
The InChIKey is DNZIAVZTLXZHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-16-17(2)32-25(27-24(29)19-6-10-21(30-3)11-7-19)22(16)23(28-12-14-31-15-13-28)18-4-8-20(26)9-5-18/h4-11,23H,12-15H2,1-3H3,(H,27,29).
What are the key properties of N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide?
N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide has a molecular weight of 454.57 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 3590601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).