N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C21H28N2O5S — CID 43005262

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC(c2cccs2)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O5S/c1-25-17-11-15(12-18(26-2)21(17)27-3)13-20(24)22-14-16(19-5-4-10-29-19)23-6-8-28-9-7-23/h4-5,10-12,16H,6-9,13-14H2,1-3H3,(H,22,24)
InChIKeyFVHWJJVSXATWKS-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.51
Rot. Bonds9

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 43005262) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID43005262
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC(c2cccs2)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O5S/c1-25-17-11-15(12-18(26-2)21(17)27-3)13-20(24)22-14-16(19-5-4-10-29-19)23-6-8-28-9-7-23/h4-5,10-12,16H,6-9,13-14H2,1-3H3,(H,22,24)
InChIKeyFVHWJJVSXATWKS-UHFFFAOYSA-N
XLogP2.51
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8799388
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150850
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
N-[(2-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 16831449
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
2-(3-methoxyphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 30834421
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931742
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide
CID 97098857

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 43005262) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCC(c2cccs2)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is FVHWJJVSXATWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-25-17-11-15(12-18(26-2)21(17)27-3)13-20(24)22-14-16(19-5-4-10-29-19)23-6-8-28-9-7-23/h4-5,10-12,16H,6-9,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 420.53 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 43005262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).