N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

C20H28FN5O6S — CID 24980593

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H28FN5O6S/c1-4-5-10-26-18(22)17(19(28)23-20(26)29)25(11-12-32-3)16(27)13-24(2)33(30,31)15-8-6-14(21)7-9-15/h6-9H,4-5,10-13,22H2,1-3H3,(H,23,28,29)
InChIKeyCDDOVYUHIPVFDF-UHFFFAOYSA-N
MW485.54 g/mol
LogP0.36
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 24980593) has the molecular formula C20H28FN5O6S and a molecular weight of 485.54 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID24980593
Molecular FormulaC20H28FN5O6S
Molecular Weight485.54 g/mol
Exact Mass485.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H28FN5O6S/c1-4-5-10-26-18(22)17(19(28)23-20(26)29)25(11-12-32-3)16(27)13-24(2)33(30,31)15-8-6-14(21)7-9-15/h6-9H,4-5,10-13,22H2,1-3H3,(H,23,28,29)
InChIKeyCDDOVYUHIPVFDF-UHFFFAOYSA-N
XLogP0.36
TPSA147.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 24980593) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is CCCCn1c(N)c(N(CCOC)C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CDDOVYUHIPVFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O6S/c1-4-5-10-26-18(22)17(19(28)23-20(26)29)25(11-12-32-3)16(27)13-24(2)33(30,31)15-8-6-14(21)7-9-15/h6-9H,4-5,10-13,22H2,1-3H3,(H,23,28,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 485.54 g/mol, XLogP of 0.36, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 24980593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).