4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide

C22H22N2O4S — CID 17490429

IUPAC4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1OC
InChIInChI=1S/C22H22N2O4S/c1-14-23-18(13-29-14)15-5-4-6-17(11-15)24-22(26)10-8-19(25)16-7-9-20(27-2)21(12-16)28-3/h4-7,9,11-13H,8,10H2,1-3H3,(H,24,26)
InChIKeyJBNSIZAWNCVYNE-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.74
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide

4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide (PubChem CID 17490429) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
PubChem CID17490429
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1OC
InChIInChI=1S/C22H22N2O4S/c1-14-23-18(13-29-14)15-5-4-6-17(11-15)24-22(26)10-8-19(25)16-7-9-20(27-2)21(12-16)28-3/h4-7,9,11-13H,8,10H2,1-3H3,(H,24,26)
InChIKeyJBNSIZAWNCVYNE-UHFFFAOYSA-N
XLogP4.74
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide with MolForge

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Related Compounds

5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
CID 30858687
2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 30859534
1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 122285973
2-(4-bromo-2-fluorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 29315593
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560652
2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8891121
N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide
CID 4000067
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide (CID 17490429) is 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide?
The InChIKey is JBNSIZAWNCVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-14-23-18(13-29-14)15-5-4-6-17(11-15)24-22(26)10-8-19(25)16-7-9-20(27-2)21(12-16)28-3/h4-7,9,11-13H,8,10H2,1-3H3,(H,24,26).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide?
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide has a molecular weight of 410.50 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 17490429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).