N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide

C24H28N4O2S — CID 112799212

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C24H28N4O2S/c1-5-18-8-6-7-9-21(18)27-23(29)14-28(4)24(30)16(2)25-20-12-10-19(11-13-20)22-15-31-17(3)26-22/h6-13,15-16,25H,5,14H2,1-4H3,(H,27,29)
InChIKeyGQXSIKRZVXZJIJ-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.58
Rot. Bonds8

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide (PubChem CID 112799212) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
PubChem CID112799212
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C24H28N4O2S/c1-5-18-8-6-7-9-21(18)27-23(29)14-28(4)24(30)16(2)25-20-12-10-19(11-13-20)22-15-31-17(3)26-22/h6-13,15-16,25H,5,14H2,1-4H3,(H,27,29)
InChIKeyGQXSIKRZVXZJIJ-UHFFFAOYSA-N
XLogP4.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-propylanilino)propanamide
CID 112799196
2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 112799144
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 25409868
(2R)-N-(2-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25361158
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884
(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25376034
N-(1,3-benzodioxol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 51248672
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 112798745
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 47018344

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide (CID 112799212) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(C)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
The InChIKey is GQXSIKRZVXZJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-5-18-8-6-7-9-21(18)27-23(29)14-28(4)24(30)16(2)25-20-12-10-19(11-13-20)22-15-31-17(3)26-22/h6-13,15-16,25H,5,14H2,1-4H3,(H,27,29).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide has a molecular weight of 436.58 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide is sourced from PubChem (CID 112799212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).