N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C21H23NO2S — CID 9179823

IUPACN-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCSc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H23NO2S/c1-25-19-10-8-18(9-11-19)22-21(24)13-12-20(23)17-7-6-15-4-2-3-5-16(15)14-17/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyPRTHZYBQAUXSAC-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.89
Rot. Bonds6

About N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 9179823) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID9179823
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC NameN-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCSc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H23NO2S/c1-25-19-10-8-18(9-11-19)22-21(24)13-12-20(23)17-7-6-15-4-2-3-5-16(15)14-17/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyPRTHZYBQAUXSAC-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532448
methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate
CID 55709002
4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
CID 24505212
N-(3,5-dichloro-4-hydroxyphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108807181
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 51116933
N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 16573467
N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795675
N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119515209
N-(2,4-difluorophenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9165021
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxobutanamide
CID 55585146
4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 38467775

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 9179823) is N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is CSc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is PRTHZYBQAUXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-25-19-10-8-18(9-11-19)22-21(24)13-12-20(23)17-7-6-15-4-2-3-5-16(15)14-17/h6-11,14H,2-5,12-13H2,1H3,(H,22,24).
What are the key properties of N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 353.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 9179823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).