4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide

C17H28N2OS — CID 116694445

IUPAC4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide
SMILESCCCCSCCC(NCCC)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H28N2OS/c1-3-5-13-21-14-11-17(16(18)20,19-12-4-2)15-9-7-6-8-10-15/h6-10,19H,3-5,11-14H2,1-2H3,(H2,18,20)
InChIKeyFGQIVLXNSAQZFM-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.29
Rot. Bonds11

About 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide

4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide (PubChem CID 116694445) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide
PubChem CID116694445
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide
SMILESCCCCSCCC(NCCC)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H28N2OS/c1-3-5-13-21-14-11-17(16(18)20,19-12-4-2)15-9-7-6-8-10-15/h6-10,19H,3-5,11-14H2,1-2H3,(H2,18,20)
InChIKeyFGQIVLXNSAQZFM-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-2-phenylpentanamide
CID 55084877
4-(oxetan-3-ylsulfanyl)-2-phenyl-2-(propylamino)butanoic acid
CID 116694802
4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide
CID 116694539
4-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)butanoic acid
CID 116694434
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 82007199
3-(4-hydroxybutan-2-ylsulfanyl)-2-phenyl-2-(propylamino)propanoic acid
CID 66137308
2-(2-azidoethylamino)-2-phenylbutanamide
CID 66191038
ethyl 4-(2-hydroxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694506
4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
CID 116694645
2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 116693516
2-phenyl-2-(propylamino)-4-pyrazol-1-ylbutanoic acid
CID 116693975

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide?
The IUPAC name of 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide (CID 116694445) is 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide.
What is the SMILES notation for 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide?
The canonical SMILES for 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide is CCCCSCCC(NCCC)(C(N)=O)c1ccccc1.
What is the InChIKey of 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide?
The InChIKey is FGQIVLXNSAQZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-3-5-13-21-14-11-17(16(18)20,19-12-4-2)15-9-7-6-8-10-15/h6-10,19H,3-5,11-14H2,1-2H3,(H2,18,20).
What are the key properties of 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide?
4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide has a molecular weight of 308.49 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide is sourced from PubChem (CID 116694445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).