4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide

C21H19NO3S — CID 33251204

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2Oc2ccccc2)s1
InChIInChI=1S/C21H19NO3S/c1-15-11-13-20(26-15)18(23)12-14-21(24)22-17-9-5-6-10-19(17)25-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,22,24)
InChIKeyXMTCNDLSFYPSHR-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.45
Rot. Bonds7

About 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide (PubChem CID 33251204) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
PubChem CID33251204
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2Oc2ccccc2)s1
InChIInChI=1S/C21H19NO3S/c1-15-11-13-20(26-15)18(23)12-14-21(24)22-17-9-5-6-10-19(17)25-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,22,24)
InChIKeyXMTCNDLSFYPSHR-UHFFFAOYSA-N
XLogP5.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
CID 30235975
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 78878756
N-(2-phenoxyphenyl)decanamide
CID 4091110
N-(3-chloro-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 39889391
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 38206582
N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
CID 43222115
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide (CID 33251204) is 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2Oc2ccccc2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide?
The InChIKey is XMTCNDLSFYPSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-15-11-13-20(26-15)18(23)12-14-21(24)22-17-9-5-6-10-19(17)25-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,22,24).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide has a molecular weight of 365.45 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide is sourced from PubChem (CID 33251204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).