N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

C24H27N3O3S — CID 46563245

IUPACN-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)N(CC)CC(=O)Nc3ccccc3OC)s2)cc1
InChIInChI=1S/C24H27N3O3S/c1-5-17-11-13-18(14-12-17)23-25-16(3)22(31-23)24(29)27(6-2)15-21(28)26-19-9-7-8-10-20(19)30-4/h7-14H,5-6,15H2,1-4H3,(H,26,28)
InChIKeyWHCDQNBXCAQOEJ-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.79
Rot. Bonds8

About N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 46563245) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID46563245
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)N(CC)CC(=O)Nc3ccccc3OC)s2)cc1
InChIInChI=1S/C24H27N3O3S/c1-5-17-11-13-18(14-12-17)23-25-16(3)22(31-23)24(29)27(6-2)15-21(28)26-19-9-7-8-10-20(19)30-4/h7-14H,5-6,15H2,1-4H3,(H,26,28)
InChIKeyWHCDQNBXCAQOEJ-UHFFFAOYSA-N
XLogP4.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 49318199
N-ethyl-3-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 51184271
N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 70831549
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837680
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824741
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 26356006
1-[(4-chlorophenyl)methyl]-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27833135
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-1H-indole-2-carboxamide
CID 134002686
2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855524
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 113163139
N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide
CID 47078974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 46563245) is N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)N(CC)CC(=O)Nc3ccccc3OC)s2)cc1.
What is the InChIKey of N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WHCDQNBXCAQOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-5-17-11-13-18(14-12-17)23-25-16(3)22(31-23)24(29)27(6-2)15-21(28)26-19-9-7-8-10-20(19)30-4/h7-14H,5-6,15H2,1-4H3,(H,26,28).
What are the key properties of N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46563245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).