4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide

C19H24FN3O5S2 — CID 51115692

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
SMILESCN(CCCC(=O)NCc1ccccc1NS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O5S2/c1-23(30(27,28)17-11-9-16(20)10-12-17)13-5-8-19(24)21-14-15-6-3-4-7-18(15)22-29(2,25)26/h3-4,6-7,9-12,22H,5,8,13-14H2,1-2H3,(H,21,24)
InChIKeyCRTPUIAQFQHFTL-UHFFFAOYSA-N
MW457.55 g/mol
LogP1.91
Rot. Bonds10

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide (PubChem CID 51115692) has the molecular formula C19H24FN3O5S2 and a molecular weight of 457.55 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
PubChem CID51115692
Molecular FormulaC19H24FN3O5S2
Molecular Weight457.55 g/mol
Exact Mass457.11
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
SMILESCN(CCCC(=O)NCc1ccccc1NS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O5S2/c1-23(30(27,28)17-11-9-16(20)10-12-17)13-5-8-19(24)21-14-15-6-3-4-7-18(15)22-29(2,25)26/h3-4,6-7,9-12,22H,5,8,13-14H2,1-2H3,(H,21,24)
InChIKeyCRTPUIAQFQHFTL-UHFFFAOYSA-N
XLogP1.91
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 27645506
N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 60566227
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
N-(2-but-3-enylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 100731859
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
N-(2-benzylsulfanylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 16561464
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
2-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]ethylsulfanyl]acetic acid
CID 119241419
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide (CID 51115692) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide is CN(CCCC(=O)NCc1ccccc1NS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide?
The InChIKey is CRTPUIAQFQHFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5S2/c1-23(30(27,28)17-11-9-16(20)10-12-17)13-5-8-19(24)21-14-15-6-3-4-7-18(15)22-29(2,25)26/h3-4,6-7,9-12,22H,5,8,13-14H2,1-2H3,(H,21,24).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide has a molecular weight of 457.55 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide is sourced from PubChem (CID 51115692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).