N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide

C21H21N3O2S — CID 37019362

IUPACN-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide
SMILESCC(C)c1csc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C21H21N3O2S/c1-14(2)18-13-27-21(23-18)24-19(25)12-22-20(26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyAZMBSRSTJKMUHG-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.30
Rot. Bonds6

About N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide

N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide (PubChem CID 37019362) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide
PubChem CID37019362
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide
SMILESCC(C)c1csc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C21H21N3O2S/c1-14(2)18-13-27-21(23-18)24-19(25)12-22-20(26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyAZMBSRSTJKMUHG-UHFFFAOYSA-N
XLogP4.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 37018718
N-[2-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 108768191
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 55438240
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
1-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]pyrrole-3-carboxamide
CID 154667811
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
2-(cyclopentylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 54958579
4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 30715818
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 50746138
2-(2-methylindol-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 43036916

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide (CID 37019362) is N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide is CC(C)c1csc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide?
The InChIKey is AZMBSRSTJKMUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14(2)18-13-27-21(23-18)24-19(25)12-22-20(26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide?
N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide has a molecular weight of 379.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 37019362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).