5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide

C26H30N2O5S — CID 20855296

IUPAC5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(OC)c1OC
InChIInChI=1S/C26H30N2O5S/c1-30-21-10-9-19(23(31-2)24(21)32-3)11-12-27-25(29)22-17-20(18-7-5-4-6-8-18)26(34-22)28-13-15-33-16-14-28/h4-10,17H,11-16H2,1-3H3,(H,27,29)
InChIKeyKPUCXQISWKEPTN-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.25
Rot. Bonds9

About 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide

5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 20855296) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID20855296
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(OC)c1OC
InChIInChI=1S/C26H30N2O5S/c1-30-21-10-9-19(23(31-2)24(21)32-3)11-12-27-25(29)22-17-20(18-7-5-4-6-8-18)26(34-22)28-13-15-33-16-14-28/h4-10,17H,11-16H2,1-3H3,(H,27,29)
InChIKeyKPUCXQISWKEPTN-UHFFFAOYSA-N
XLogP4.25
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide (CID 20855296) is 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(OC)c1OC.
What is the InChIKey of 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is KPUCXQISWKEPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-30-21-10-9-19(23(31-2)24(21)32-3)11-12-27-25(29)22-17-20(18-7-5-4-6-8-18)26(34-22)28-13-15-33-16-14-28/h4-10,17H,11-16H2,1-3H3,(H,27,29).
What are the key properties of 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide?
5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 20855296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).