N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide

C22H26N4O3S — CID 24980905

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc(CC)c(C)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H26N4O3S/c1-4-11-25(21(28)17-12-16(5-2)14(3)30-17)18-19(23)26(22(29)24-20(18)27)13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13,23H2,1-3H3,(H,24,27,29)
InChIKeyAFHZSXWNFMKEEJ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.16
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide (PubChem CID 24980905) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
PubChem CID24980905
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc(CC)c(C)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H26N4O3S/c1-4-11-25(21(28)17-12-16(5-2)14(3)30-17)18-19(23)26(22(29)24-20(18)27)13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13,23H2,1-3H3,(H,24,27,29)
InChIKeyAFHZSXWNFMKEEJ-UHFFFAOYSA-N
XLogP3.16
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 1924898
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide (CID 24980905) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cc(CC)c(C)s1)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-ethyl-5-methyl-N-propylthiophene-2-carboxamide?
The InChIKey is AFHZSXWNFMKEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-11-25(21(28)17-12-16(5-2)14(3)30-17)18-19(23)26(22(29)24-20(18)27)13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13,23H2,1-3H3,(H,24,27,29).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-5-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.16, 7 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-ethyl-5-methyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 24980905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).