2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C22H25N3OS — CID 56571116

IUPAC2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCCN(CC(=O)NC(c1ccccc1)c1nccs1)c1ccc(C)cc1C
InChIInChI=1S/C22H25N3OS/c1-4-25(19-11-10-16(2)14-17(19)3)15-20(26)24-21(22-23-12-13-27-22)18-8-6-5-7-9-18/h5-14,21H,4,15H2,1-3H3,(H,24,26)
InChIKeyIKTDLPPWJICFCR-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.49
Rot. Bonds7

About 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56571116) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56571116
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCCN(CC(=O)NC(c1ccccc1)c1nccs1)c1ccc(C)cc1C
InChIInChI=1S/C22H25N3OS/c1-4-25(19-11-10-16(2)14-17(19)3)15-20(26)24-21(22-23-12-13-27-22)18-8-6-5-7-9-18/h5-14,21H,4,15H2,1-3H3,(H,24,26)
InChIKeyIKTDLPPWJICFCR-UHFFFAOYSA-N
XLogP4.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56570966
2-[methyl-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]amino]propanoic acid
CID 119913156
2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56570887
2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571196
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56568392
2-[2-aminoethyl(2-phenylethyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 120872071
N-(dicyclopropylmethyl)-2-(N-ethyl-2,4-dimethylanilino)acetamide
CID 55864954
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 98854382
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541056
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56540997
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56568359
2-(N-ethyl-2,4-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 78903764

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56571116) is 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is CCN(CC(=O)NC(c1ccccc1)c1nccs1)c1ccc(C)cc1C.
What is the InChIKey of 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is IKTDLPPWJICFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-4-25(19-11-10-16(2)14-17(19)3)15-20(26)24-21(22-23-12-13-27-22)18-8-6-5-7-9-18/h5-14,21H,4,15H2,1-3H3,(H,24,26).
What are the key properties of 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56571116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).