4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide

C20H23NO2S — CID 18139455

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC2(c3ccccc3)CCC2)s1
InChIInChI=1S/C20H23NO2S/c1-15-8-10-18(24-15)17(22)9-11-19(23)21-14-20(12-5-13-20)16-6-3-2-4-7-16/h2-4,6-8,10H,5,9,11-14H2,1H3,(H,21,23)
InChIKeyXMIOBXDWBLZGQV-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.26
Rot. Bonds7

About 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide (PubChem CID 18139455) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide
PubChem CID18139455
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC2(c3ccccc3)CCC2)s1
InChIInChI=1S/C20H23NO2S/c1-15-8-10-18(24-15)17(22)9-11-19(23)21-14-20(12-5-13-20)16-6-3-2-4-7-16/h2-4,6-8,10H,5,9,11-14H2,1H3,(H,21,23)
InChIKeyXMIOBXDWBLZGQV-UHFFFAOYSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide
CID 18139468
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 5-methylthiophene-2-carboxylate
CID 30407713
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55629089
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]butanamide
CID 9112477
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
CID 51316447
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid
CID 167843165

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide (CID 18139455) is 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide is Cc1ccc(C(=O)CCC(=O)NCC2(c3ccccc3)CCC2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide?
The InChIKey is XMIOBXDWBLZGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15-8-10-18(24-15)17(22)9-11-19(23)21-14-20(12-5-13-20)16-6-3-2-4-7-16/h2-4,6-8,10H,5,9,11-14H2,1H3,(H,21,23).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide has a molecular weight of 341.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide is sourced from PubChem (CID 18139455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).