N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C24H28N2O3S — CID 8867180

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN[C@@H](c2ccc(C)cc2)c2cccs2)cc1OC
InChIInChI=1S/C24H28N2O3S/c1-17-6-9-19(10-7-17)24(22-5-4-14-30-22)26-16-23(27)25-13-12-18-8-11-20(28-2)21(15-18)29-3/h4-11,14-15,24,26H,12-13,16H2,1-3H3,(H,25,27)/t24-/m0/s1
InChIKeyOOIJMDUKGNVKSJ-DEOSSOPVSA-N
MW424.57 g/mol
LogP4.11
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 8867180) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID8867180
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN[C@@H](c2ccc(C)cc2)c2cccs2)cc1OC
InChIInChI=1S/C24H28N2O3S/c1-17-6-9-19(10-7-17)24(22-5-4-14-30-22)26-16-23(27)25-13-12-18-8-11-20(28-2)21(15-18)29-3/h4-11,14-15,24,26H,12-13,16H2,1-3H3,(H,25,27)/t24-/m0/s1
InChIKeyOOIJMDUKGNVKSJ-DEOSSOPVSA-N
XLogP4.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411817
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869023
N-[(4-methoxyphenyl)methyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051908
N-(3-methylbutyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867294
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052002
N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869471
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 51195261
2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 8867924
2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17392078
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 8867180) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is COc1ccc(CCNC(=O)CN[C@@H](c2ccc(C)cc2)c2cccs2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is OOIJMDUKGNVKSJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-17-6-9-19(10-7-17)24(22-5-4-14-30-22)26-16-23(27)25-13-12-18-8-11-20(28-2)21(15-18)29-3/h4-11,14-15,24,26H,12-13,16H2,1-3H3,(H,25,27)/t24-/m0/s1.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 424.57 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 8867180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).