N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide

C24H26F2N4O3S — CID 24617274

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(SC(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H26F2N4O3S/c1-15(2)12-13-29(22(32)17-8-10-18(11-9-17)34-23(25)26)19-20(27)30(24(33)28-21(19)31)14-16-6-4-3-5-7-16/h3-11,15,23H,12-14,27H2,1-2H3,(H,28,31,33)
InChIKeyPFHJDNZJPNVCGF-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.17
Rot. Bonds9

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide (PubChem CID 24617274) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide
PubChem CID24617274
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(SC(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H26F2N4O3S/c1-15(2)12-13-29(22(32)17-8-10-18(11-9-17)34-23(25)26)19-20(27)30(24(33)28-21(19)31)14-16-6-4-3-5-7-16/h3-11,15,23H,12-14,27H2,1-2H3,(H,28,31,33)
InChIKeyPFHJDNZJPNVCGF-UHFFFAOYSA-N
XLogP4.17
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(3-methylbutyl)pentanamide
CID 9101793
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2,2-diphenylacetamide
CID 4816328
(1S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2,2-dichloro-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 31302792
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534811
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-phenoxyacetamide
CID 4805512
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-4-(trifluoromethyl)benzamide
CID 4790575
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-(2-nitrophenyl)acetamide
CID 42995892
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methoxy-N-propylbenzamide
CID 8800330
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-chloro-N-(2-methylpropyl)benzamide
CID 4825510
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 4825513
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(4-fluorophenoxy)-N-(3-methylbutyl)propanamide
CID 30841875
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
CID 55338202

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide (CID 24617274) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide is CC(C)CCN(C(=O)c1ccc(SC(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide?
The InChIKey is PFHJDNZJPNVCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c1-15(2)12-13-29(22(32)17-8-10-18(11-9-17)34-23(25)26)19-20(27)30(24(33)28-21(19)31)14-16-6-4-3-5-7-16/h3-11,15,23H,12-14,27H2,1-2H3,(H,28,31,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide has a molecular weight of 488.56 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 24617274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).