2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide

C22H23N3O2S — CID 1058209

IUPAC2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)c1ccccc1C
InChIInChI=1S/C22H23N3O2S/c1-3-13-25(21(27)18-12-8-7-9-16(18)2)14-20(26)24-22-23-19(15-28-22)17-10-5-4-6-11-17/h4-12,15H,3,13-14H2,1-2H3,(H,23,24,26)
InChIKeyORXPZKNTUZSFNK-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.61
Rot. Bonds7

About 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide

2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide (PubChem CID 1058209) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide
PubChem CID1058209
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)c1ccccc1C
InChIInChI=1S/C22H23N3O2S/c1-3-13-25(21(27)18-12-8-7-9-16(18)2)14-20(26)24-22-23-19(15-28-22)17-10-5-4-6-11-17/h4-12,15H,3,13-14H2,1-2H3,(H,23,24,26)
InChIKeyORXPZKNTUZSFNK-UHFFFAOYSA-N
XLogP4.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
2-[2-[[2-[(2-chlorobenzoyl)-propylamino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 42776336
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
CID 23989459
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2-chloro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4076397
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 3907965
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42732056
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 108769761
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42778983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide (CID 1058209) is 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide?
The InChIKey is ORXPZKNTUZSFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-3-13-25(21(27)18-12-8-7-9-16(18)2)14-20(26)24-22-23-19(15-28-22)17-10-5-4-6-11-17/h4-12,15H,3,13-14H2,1-2H3,(H,23,24,26).
What are the key properties of 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide?
2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide has a molecular weight of 393.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide is sourced from PubChem (CID 1058209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).