4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide

C17H28N2OS — CID 116694539

IUPAC4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide
SMILESCCC(C)SCCC(NC(C)C)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H28N2OS/c1-5-14(4)21-12-11-17(16(18)20,19-13(2)3)15-9-7-6-8-10-15/h6-10,13-14,19H,5,11-12H2,1-4H3,(H2,18,20)
InChIKeyHXYZDZHWEQGLEQ-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.29
Rot. Bonds9

About 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide

4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide (PubChem CID 116694539) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide
PubChem CID116694539
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide
SMILESCCC(C)SCCC(NC(C)C)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H28N2OS/c1-5-14(4)21-12-11-17(16(18)20,19-13(2)3)15-9-7-6-8-10-15/h6-10,13-14,19H,5,11-12H2,1-4H3,(H2,18,20)
InChIKeyHXYZDZHWEQGLEQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)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

2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356
4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide
CID 116694445
2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
CID 60787687
3-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64820845
ethyl 2-(methylamino)-2-phenyl-4-propan-2-ylsulfanylbutanoate
CID 116694659
4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide
CID 102607453
methyl 2-(ethylamino)-4-(1-hydroxypropan-2-ylsulfanyl)-2-phenylbutanoate
CID 116694848
4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693705
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694773
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide
CID 107771710
4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
CID 116694645

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide (CID 116694539) is 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide is CCC(C)SCCC(NC(C)C)(C(N)=O)c1ccccc1.
What is the InChIKey of 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide?
The InChIKey is HXYZDZHWEQGLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-5-14(4)21-12-11-17(16(18)20,19-13(2)3)15-9-7-6-8-10-15/h6-10,13-14,19H,5,11-12H2,1-4H3,(H2,18,20).
What are the key properties of 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide?
4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide has a molecular weight of 308.49 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 116694539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).