4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C21H26N2O2S — CID 56557998

IUPAC4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCC(C)c1nc(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C21H26N2O2S/c1-14(2)21-23-18(13-26-21)12-22-20(25)10-9-19(24)17-8-7-15-5-3-4-6-16(15)11-17/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H,22,25)
InChIKeyMMYFCLAVKWNXDH-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.42
Rot. Bonds7

About 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 56557998) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID56557998
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCC(C)c1nc(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C21H26N2O2S/c1-14(2)21-23-18(13-26-21)12-22-20(25)10-9-19(24)17-8-7-15-5-3-4-6-16(15)11-17/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H,22,25)
InChIKeyMMYFCLAVKWNXDH-UHFFFAOYSA-N
XLogP4.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-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

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 9116198
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
N-[(2R)-2-(ethylamino)propyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 120653209
N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 34557995
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 31110441
4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55841075
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9118329

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 56557998) is 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is CC(C)c1nc(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cs1.
What is the InChIKey of 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is MMYFCLAVKWNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14(2)21-23-18(13-26-21)12-22-20(25)10-9-19(24)17-8-7-15-5-3-4-6-16(15)11-17/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 370.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 56557998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).