4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide

C15H24FN3O3S — CID 119430306

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H24FN3O3S/c1-17-10-4-11-18-15(20)5-3-12-19(2)23(21,22)14-8-6-13(16)7-9-14/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyRZIYDVHAPXYKIF-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.95
Rot. Bonds10

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide (PubChem CID 119430306) has the molecular formula C15H24FN3O3S and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
PubChem CID119430306
Molecular FormulaC15H24FN3O3S
Molecular Weight345.44 g/mol
Exact Mass345.15
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H24FN3O3S/c1-17-10-4-11-18-15(20)5-3-12-19(2)23(21,22)14-8-6-13(16)7-9-14/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyRZIYDVHAPXYKIF-UHFFFAOYSA-N
XLogP0.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
2-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]ethylsulfanyl]acetic acid
CID 119241419
N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 60566227
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119534229
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
CID 51115692
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 27645506
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30847044
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide (CID 119430306) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide is CNCCCNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide?
The InChIKey is RZIYDVHAPXYKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O3S/c1-17-10-4-11-18-15(20)5-3-12-19(2)23(21,22)14-8-6-13(16)7-9-14/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide has a molecular weight of 345.44 g/mol, XLogP of 0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide is sourced from PubChem (CID 119430306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).