3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide

C20H22N2O3S2 — CID 8941429

IUPAC3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2ccc(-c3csc(C)n3)s2)c1OC
InChIInChI=1S/C20H22N2O3S2/c1-13-22-16(12-26-13)18-9-8-15(27-18)11-21-19(23)10-7-14-5-4-6-17(24-2)20(14)25-3/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,21,23)
InChIKeyNKMPDPCFIBVOSD-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.45
Rot. Bonds8

About 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide

3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide (PubChem CID 8941429) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
PubChem CID8941429
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2ccc(-c3csc(C)n3)s2)c1OC
InChIInChI=1S/C20H22N2O3S2/c1-13-22-16(12-26-13)18-9-8-15(27-18)11-21-19(23)10-7-14-5-4-6-17(24-2)20(14)25-3/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,21,23)
InChIKeyNKMPDPCFIBVOSD-UHFFFAOYSA-N
XLogP4.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 31685380
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 40707333
3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 31685116
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
3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940413
4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide
CID 8940627
2,4-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940470
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-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide (CID 8941429) is 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide is COc1cccc(CCC(=O)NCc2ccc(-c3csc(C)n3)s2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide?
The InChIKey is NKMPDPCFIBVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-13-22-16(12-26-13)18-9-8-15(27-18)11-21-19(23)10-7-14-5-4-6-17(24-2)20(14)25-3/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,21,23).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 8941429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).