N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide

C22H26N4O4S — CID 16548934

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C22H26N4O4S/c1-4-16-12-17(31-14(16)2)21(28)26(13-15-8-6-5-7-9-15)18-19(23)25(10-11-30-3)22(29)24-20(18)27/h5-9,12H,4,10-11,13,23H2,1-3H3,(H,24,27,29)
InChIKeyFCJCGURUDKDCRH-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.54
Rot. Bonds8

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 16548934) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID16548934
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C22H26N4O4S/c1-4-16-12-17(31-14(16)2)21(28)26(13-15-8-6-5-7-9-15)18-19(23)25(10-11-30-3)22(29)24-20(18)27/h5-9,12H,4,10-11,13,23H2,1-3H3,(H,24,27,29)
InChIKeyFCJCGURUDKDCRH-UHFFFAOYSA-N
XLogP2.54
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide (CID 16548934) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)sc1C.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is FCJCGURUDKDCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-4-16-12-17(31-14(16)2)21(28)26(13-15-8-6-5-7-9-15)18-19(23)25(10-11-30-3)22(29)24-20(18)27/h5-9,12H,4,10-11,13,23H2,1-3H3,(H,24,27,29).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 16548934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).