2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C19H28N6O5S — CID 55500426

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCCCCn1c(N)c(N(C)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N6O5S/c1-5-6-10-25-17(20)16(18(27)22-19(25)28)24(4)12-15(26)21-13-8-7-9-14(11-13)31(29,30)23(2)3/h7-9,11H,5-6,10,12,20H2,1-4H3,(H,21,26)(H,22,27,28)
InChIKeyGEWHMEFJGCKUHN-UHFFFAOYSA-N
MW452.54 g/mol
LogP0.24
Rot. Bonds9

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 55500426) has the molecular formula C19H28N6O5S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID55500426
Molecular FormulaC19H28N6O5S
Molecular Weight452.54 g/mol
Exact Mass452.18
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCCCCn1c(N)c(N(C)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N6O5S/c1-5-6-10-25-17(20)16(18(27)22-19(25)28)24(4)12-15(26)21-13-8-7-9-14(11-13)31(29,30)23(2)3/h7-9,11H,5-6,10,12,20H2,1-4H3,(H,21,26)(H,22,27,28)
InChIKeyGEWHMEFJGCKUHN-UHFFFAOYSA-N
XLogP0.24
TPSA150.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3-fluorophenyl)acetamide
CID 18136953
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 55500431
2-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 55475050
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 46690480
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 55474865
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3,5-difluorophenyl)acetamide
CID 18136988
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46673927
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 29467605
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 34657636
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-propan-2-ylphenyl)acetamide
CID 55500423
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55499875
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 55339298

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 55500426) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CCCCn1c(N)c(N(C)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is GEWHMEFJGCKUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O5S/c1-5-6-10-25-17(20)16(18(27)22-19(25)28)24(4)12-15(26)21-13-8-7-9-14(11-13)31(29,30)23(2)3/h7-9,11H,5-6,10,12,20H2,1-4H3,(H,21,26)(H,22,27,28).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 452.54 g/mol, XLogP of 0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 55500426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).