N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide

C24H25FN2O2S — CID 3542312

IUPACN-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
SMILESCCc1cc(C(c2ccc(F)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C24H25FN2O2S/c1-2-20-16-21(24(30-20)26-23(28)18-6-4-3-5-7-18)22(27-12-14-29-15-13-27)17-8-10-19(25)11-9-17/h3-11,16,22H,2,12-15H2,1H3,(H,26,28)
InChIKeyNMJLQMBUDFXZOL-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.12
Rot. Bonds6

About N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide

N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 3542312) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
PubChem CID3542312
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC NameN-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
SMILESCCc1cc(C(c2ccc(F)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C24H25FN2O2S/c1-2-20-16-21(24(30-20)26-23(28)18-6-4-3-5-7-18)22(27-12-14-29-15-13-27)17-8-10-19(25)11-9-17/h3-11,16,22H,2,12-15H2,1H3,(H,26,28)
InChIKeyNMJLQMBUDFXZOL-UHFFFAOYSA-N
XLogP5.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 24985915
N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-acetamide
CID 1358927
N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 7446712
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855297
N-{4,5-dimethyl-3-[(2-methyl-1-piperidinyl)methyl]-2-thienyl}-2-fluorobenzamide
CID 4395058
(S)-1-(5-(4-(morpholine-4-carbonyl)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 44560670
1-(3-((Morpholin-2-ylmethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560938
4-Methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-amine
CID 2120324
N-[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide
CID 1204119
N-[4,5-dimethyl-3-(1-piperidinylmethyl)-2-thienyl]-2-fluorobenzamide
CID 852250
N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2521230
N-(3-((4-fluorophenyl)(morpholino)methyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide
CID 4290182

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide (CID 3542312) is N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide is CCc1cc(C(c2ccc(F)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
The InChIKey is NMJLQMBUDFXZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-2-20-16-21(24(30-20)26-23(28)18-6-4-3-5-7-18)22(27-12-14-29-15-13-27)17-8-10-19(25)11-9-17/h3-11,16,22H,2,12-15H2,1H3,(H,26,28).
What are the key properties of N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 424.54 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-[(4-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 3542312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).