3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C23H25N3O5S — CID 18568006

IUPAC3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C23H25N3O5S/c1-29-18-7-4-15(5-8-18)10-11-24-21(27)13-17-14-32-23(25-17)26-22(28)16-6-9-19(30-2)20(12-16)31-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,27)(H,25,26,28)
InChIKeyRZDWCAYVLFVIOA-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.32
Rot. Bonds10

About 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18568006) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18568006
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C23H25N3O5S/c1-29-18-7-4-15(5-8-18)10-11-24-21(27)13-17-14-32-23(25-17)26-22(28)16-6-9-19(30-2)20(12-16)31-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,27)(H,25,26,28)
InChIKeyRZDWCAYVLFVIOA-UHFFFAOYSA-N
XLogP3.32
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567995
N-[4-[2-(butylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18567989
3,4-dimethoxy-N-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567997
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
3,5-dimethoxy-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841940
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568020
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940810
N-[4-[2-(2-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568011
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
N-cyclopropyl-N-[2-[[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 3535161
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 26045727

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 18568006) is 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is COc1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RZDWCAYVLFVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-29-18-7-4-15(5-8-18)10-11-24-21(27)13-17-14-32-23(25-17)26-22(28)16-6-9-19(30-2)20(12-16)31-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,27)(H,25,26,28).
What are the key properties of 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 455.54 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18568006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).