N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide

C18H21FN2O2S — CID 4807552

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)s1
InChIInChI=1S/C18H21FN2O2S/c1-13-2-7-17(24-13)18(22)20-12-16(21-8-10-23-11-9-21)14-3-5-15(19)6-4-14/h2-7,16H,8-12H2,1H3,(H,20,22)
InChIKeyRDCMDHLMEMVYBZ-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide (PubChem CID 4807552) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide
PubChem CID4807552
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)s1
InChIInChI=1S/C18H21FN2O2S/c1-13-2-7-17(24-13)18(22)20-12-16(21-8-10-23-11-9-21)14-3-5-15(19)6-4-14/h2-7,16H,8-12H2,1H3,(H,20,22)
InChIKeyRDCMDHLMEMVYBZ-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide (CID 4807552) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is RDCMDHLMEMVYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-13-2-7-17(24-13)18(22)20-12-16(21-8-10-23-11-9-21)14-3-5-15(19)6-4-14/h2-7,16H,8-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4807552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).