N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide

C22H26N2O3S3 — CID 43055509

IUPACN-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Cc1sc(SC)nc1C
InChIInChI=1S/C22H26N2O3S3/c1-5-24(21(25)12-20-15(2)23-22(28-4)30-20)13-16-8-9-18(19(11-16)26-3)27-14-17-7-6-10-29-17/h6-11H,5,12-14H2,1-4H3
InChIKeyBVQMVJJIBMNYRB-UHFFFAOYSA-N
MW462.66 g/mol
LogP5.41
Rot. Bonds10

About N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide

N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide (PubChem CID 43055509) has the molecular formula C22H26N2O3S3 and a molecular weight of 462.66 g/mol. Its IUPAC name is N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
PubChem CID43055509
Molecular FormulaC22H26N2O3S3
Molecular Weight462.66 g/mol
Exact Mass462.11
IUPAC NameN-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Cc1sc(SC)nc1C
InChIInChI=1S/C22H26N2O3S3/c1-5-24(21(25)12-20-15(2)23-22(28-4)30-20)13-16-8-9-18(19(11-16)26-3)27-14-17-7-6-10-29-17/h6-11H,5,12-14H2,1-4H3
InChIKeyBVQMVJJIBMNYRB-UHFFFAOYSA-N
XLogP5.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.66
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
3-(2,5-dimethoxyphenyl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 38021262
3-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 55543953
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
ethyl 6-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55630835
N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide
CID 43055510
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 27863433
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31339075
2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide
CID 43022191
4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
CID 17468464
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 31339187

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide (CID 43055509) is N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide is CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Cc1sc(SC)nc1C.
What is the InChIKey of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is BVQMVJJIBMNYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S3/c1-5-24(21(25)12-20-15(2)23-22(28-4)30-20)13-16-8-9-18(19(11-16)26-3)27-14-17-7-6-10-29-17/h6-11H,5,12-14H2,1-4H3.
What are the key properties of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide?
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 462.66 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 43055509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).