N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C24H27NO4S — CID 7669917

IUPACN-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1ccc([C@H](NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c2cccs2)cc1
InChIInChI=1S/C24H27NO4S/c1-5-16-8-10-18(11-9-16)23(21-7-6-12-30-21)25-22(26)15-17-13-19(27-2)24(29-4)20(14-17)28-3/h6-14,23H,5,15H2,1-4H3,(H,25,26)/t23-/m0/s1
InChIKeyOJCLHURNDSIBSE-QHCPKHFHSA-N
MW425.55 g/mol
LogP4.78
Rot. Bonds9

About N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 7669917) has the molecular formula C24H27NO4S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID7669917
Molecular FormulaC24H27NO4S
Molecular Weight425.55 g/mol
Exact Mass425.17
IUPAC NameN-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1ccc([C@H](NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c2cccs2)cc1
InChIInChI=1S/C24H27NO4S/c1-5-16-8-10-18(11-9-16)23(21-7-6-12-30-21)25-22(26)15-17-13-19(27-2)24(29-4)20(14-17)28-3/h6-14,23H,5,15H2,1-4H3,(H,25,26)/t23-/m0/s1
InChIKeyOJCLHURNDSIBSE-QHCPKHFHSA-N
XLogP4.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55394738
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
CID 7669993
2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682654
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013665
N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8799388
3-(1,3-benzodioxol-5-yl)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]propanamide
CID 36614749
methyl N-[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetyl]carbamate
CID 8769482
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694
(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8769242
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide
CID 26011077
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 7669917) is N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is CCc1ccc([C@H](NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c2cccs2)cc1.
What is the InChIKey of N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is OJCLHURNDSIBSE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27NO4S/c1-5-16-8-10-18(11-9-16)23(21-7-6-12-30-21)25-22(26)15-17-13-19(27-2)24(29-4)20(14-17)28-3/h6-14,23H,5,15H2,1-4H3,(H,25,26)/t23-/m0/s1.
What are the key properties of N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 7669917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).