4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide

C16H19FN4O5S — CID 75425148

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O5S/c1-10-14(15(23)20-16(24)18-10)19-13(22)4-3-9-21(2)27(25,26)12-7-5-11(17)6-8-12/h5-8H,3-4,9H2,1-2H3,(H,19,22)(H2,18,20,23,24)
InChIKeyAQOXZSRSOKVHMD-UHFFFAOYSA-N
MW398.42 g/mol
LogP0.55
Rot. Bonds7

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide (PubChem CID 75425148) has the molecular formula C16H19FN4O5S and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide
PubChem CID75425148
Molecular FormulaC16H19FN4O5S
Molecular Weight398.42 g/mol
Exact Mass398.11
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O5S/c1-10-14(15(23)20-16(24)18-10)19-13(22)4-3-9-21(2)27(25,26)12-7-5-11(17)6-8-12/h5-8H,3-4,9H2,1-2H3,(H,19,22)(H2,18,20,23,24)
InChIKeyAQOXZSRSOKVHMD-UHFFFAOYSA-N
XLogP0.55
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
CID 60562349
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 55802134
methyl 2-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenoxy]acetate
CID 55708813
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
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-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991484
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide (CID 75425148) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide is Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide?
The InChIKey is AQOXZSRSOKVHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O5S/c1-10-14(15(23)20-16(24)18-10)19-13(22)4-3-9-21(2)27(25,26)12-7-5-11(17)6-8-12/h5-8H,3-4,9H2,1-2H3,(H,19,22)(H2,18,20,23,24).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide has a molecular weight of 398.42 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide is sourced from PubChem (CID 75425148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).