N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C21H28N2O4S — CID 8799388

IUPACN-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC[C@H](c2cccs2)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O4S/c1-25-17-11-15(12-18(26-2)21(17)27-3)13-20(24)22-14-16(19-7-6-10-28-19)23-8-4-5-9-23/h6-7,10-12,16H,4-5,8-9,13-14H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyYQPNRFJYKLUUMU-MRXNPFEDSA-N
MW404.53 g/mol
LogP3.27
Rot. Bonds9

About N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 8799388) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID8799388
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC[C@H](c2cccs2)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O4S/c1-25-17-11-15(12-18(26-2)21(17)27-3)13-20(24)22-14-16(19-7-6-10-28-19)23-8-4-5-9-23/h6-7,10-12,16H,4-5,8-9,13-14H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyYQPNRFJYKLUUMU-MRXNPFEDSA-N
XLogP3.27
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 43005262
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
2-(2-methoxyphenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014094
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17412718
3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17013147

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 8799388) is N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NC[C@H](c2cccs2)N2CCCC2)cc(OC)c1OC.
What is the InChIKey of N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is YQPNRFJYKLUUMU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-25-17-11-15(12-18(26-2)21(17)27-3)13-20(24)22-14-16(19-7-6-10-28-19)23-8-4-5-9-23/h6-7,10-12,16H,4-5,8-9,13-14H2,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 8799388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).