N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C22H28N4O3S — CID 39084959

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCOc1ccc(CCNC(=O)CNc2ncnc3sc(CC)cc23)cc1OCC
InChIInChI=1S/C22H28N4O3S/c1-4-16-12-17-21(25-14-26-22(17)30-16)24-13-20(27)23-10-9-15-7-8-18(28-5-2)19(11-15)29-6-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyALJRJKROYFZYPR-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.82
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 39084959) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID39084959
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCOc1ccc(CCNC(=O)CNc2ncnc3sc(CC)cc23)cc1OCC
InChIInChI=1S/C22H28N4O3S/c1-4-16-12-17-21(25-14-26-22(17)30-16)24-13-20(27)23-10-9-15-7-8-18(28-5-2)19(11-15)29-6-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyALJRJKROYFZYPR-UHFFFAOYSA-N
XLogP3.82
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39085245
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46612313
N-cyclopentyl-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084937
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 52687743
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 39084959) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is CCOc1ccc(CCNC(=O)CNc2ncnc3sc(CC)cc23)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is ALJRJKROYFZYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-4-16-12-17-21(25-14-26-22(17)30-16)24-13-20(27)23-10-9-15-7-8-18(28-5-2)19(11-15)29-6-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 428.56 g/mol, XLogP of 3.82, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 39084959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).