4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide

C20H20N2O3S — CID 17474007

IUPAC4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H20N2O3S/c1-15-14-26-20(24)22(15)12-6-11-19(23)21-16-7-5-10-18(13-16)25-17-8-3-2-4-9-17/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,23)
InChIKeyDTDQWCLDIKLXPW-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.43
Rot. Bonds7

About 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide (PubChem CID 17474007) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide
PubChem CID17474007
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H20N2O3S/c1-15-14-26-20(24)22(15)12-6-11-19(23)21-16-7-5-10-18(13-16)25-17-8-3-2-4-9-17/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,23)
InChIKeyDTDQWCLDIKLXPW-UHFFFAOYSA-N
XLogP4.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24978619
4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 56508331
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide
CID 17429509
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 86917550
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43287032
3-oxo-N-(3-phenoxyphenyl)dodecanamide
CID 71475050
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 115362655
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 39969633
N-[(2R)-1-hydroxypropan-2-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 79027328

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide (CID 17474007) is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide is Cc1csc(=O)n1CCCC(=O)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide?
The InChIKey is DTDQWCLDIKLXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-15-14-26-20(24)22(15)12-6-11-19(23)21-16-7-5-10-18(13-16)25-17-8-3-2-4-9-17/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,23).
What are the key properties of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide?
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide has a molecular weight of 368.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide is sourced from PubChem (CID 17474007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).