N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

C22H23ClN2O3S — CID 46740072

IUPACN-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc(C(c2cccc(Cl)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H23ClN2O3S/c1-2-17-14-18(22(29-17)24-21(26)19-7-4-10-28-19)20(25-8-11-27-12-9-25)15-5-3-6-16(23)13-15/h3-7,10,13-14,20H,2,8-9,11-12H2,1H3,(H,24,26)
InChIKeyQRMLQJSCFHGUGJ-UHFFFAOYSA-N
MW430.96 g/mol
LogP5.23
Rot. Bonds6

About N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 46740072) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
PubChem CID46740072
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC NameN-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc(C(c2cccc(Cl)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H23ClN2O3S/c1-2-17-14-18(22(29-17)24-21(26)19-7-4-10-28-19)20(25-8-11-27-12-9-25)15-5-3-6-16(23)13-15/h3-7,10,13-14,20H,2,8-9,11-12H2,1H3,(H,24,26)
InChIKeyQRMLQJSCFHGUGJ-UHFFFAOYSA-N
XLogP5.23
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (CID 46740072) is N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is CCc1cc(C(c2cccc(Cl)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is QRMLQJSCFHGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-2-17-14-18(22(29-17)24-21(26)19-7-4-10-28-19)20(25-8-11-27-12-9-25)15-5-3-6-16(23)13-15/h3-7,10,13-14,20H,2,8-9,11-12H2,1H3,(H,24,26).
What are the key properties of N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 430.96 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).