N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide

C26H30N2O4S — CID 3534612

IUPACN-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide
SMILESCCc1cc(C(c2ccc(OC)c(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C26H30N2O4S/c1-4-20-17-21(26(33-20)27-25(29)18-8-6-5-7-9-18)24(28-12-14-32-15-13-28)19-10-11-22(30-2)23(16-19)31-3/h5-11,16-17,24H,4,12-15H2,1-3H3,(H,27,29)
InChIKeyVPQVTJYLBKHPAV-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.00
Rot. Bonds8

About N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide

N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide (PubChem CID 3534612) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide
PubChem CID3534612
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide
SMILESCCc1cc(C(c2ccc(OC)c(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C26H30N2O4S/c1-4-20-17-21(26(33-20)27-25(29)18-8-6-5-7-9-18)24(28-12-14-32-15-13-28)19-10-11-22(30-2)23(16-19)31-3/h5-11,16-17,24H,4,12-15H2,1-3H3,(H,27,29)
InChIKeyVPQVTJYLBKHPAV-UHFFFAOYSA-N
XLogP5.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide (CID 3534612) is N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide is CCc1cc(C(c2ccc(OC)c(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide?
The InChIKey is VPQVTJYLBKHPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-20-17-21(26(33-20)27-25(29)18-8-6-5-7-9-18)24(28-12-14-32-15-13-28)19-10-11-22(30-2)23(16-19)31-3/h5-11,16-17,24H,4,12-15H2,1-3H3,(H,27,29).
What are the key properties of N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide?
N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide is sourced from PubChem (CID 3534612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).