2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

C21H22N2O3S2 — CID 8940929

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)NCc2ccc(-c3csc(C)n3)s2)c(OC)c1
InChIInChI=1S/C21H22N2O3S2/c1-4-5-15-6-8-18(19(10-15)25-3)26-12-21(24)22-11-16-7-9-20(28-16)17-13-27-14(2)23-17/h4-10,13H,11-12H2,1-3H3,(H,22,24)/b5-4+
InChIKeyGJGKJMRBTOZVLX-SNAWJCMRSA-N
MW414.55 g/mol
LogP4.92
Rot. Bonds8

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide (PubChem CID 8940929) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
PubChem CID8940929
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)NCc2ccc(-c3csc(C)n3)s2)c(OC)c1
InChIInChI=1S/C21H22N2O3S2/c1-4-5-15-6-8-18(19(10-15)25-3)26-12-21(24)22-11-16-7-9-20(28-16)17-13-27-14(2)23-17/h4-10,13H,11-12H2,1-3H3,(H,22,24)/b5-4+
InChIKeyGJGKJMRBTOZVLX-SNAWJCMRSA-N
XLogP4.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 33216194
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide
CID 8941359
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562
2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 40707333
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 24516217
3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 8941429
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 31685380
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 55588022
2,4-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940470
2-[4-[[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697881
4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide
CID 8940627

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide (CID 8940929) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide is C/C=C/c1ccc(OCC(=O)NCc2ccc(-c3csc(C)n3)s2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
The InChIKey is GJGKJMRBTOZVLX-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-4-5-15-6-8-18(19(10-15)25-3)26-12-21(24)22-11-16-7-9-20(28-16)17-13-27-14(2)23-17/h4-10,13H,11-12H2,1-3H3,(H,22,24)/b5-4+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8940929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).