N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

C22H26N4O4S — CID 26206434

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C22H26N4O4S/c1-4-5-12-25-19(23)18(20(27)24-22(25)29)26(21(28)17-11-10-14(2)31-17)13-15-8-6-7-9-16(15)30-3/h6-11H,4-5,12-13,23H2,1-3H3,(H,24,27,29)
InChIKeyMWZISHAXIOTFSO-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.14
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 26206434) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID26206434
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C22H26N4O4S/c1-4-5-12-25-19(23)18(20(27)24-22(25)29)26(21(28)17-11-10-14(2)31-17)13-15-8-6-7-9-16(15)30-3/h6-11H,4-5,12-13,23H2,1-3H3,(H,24,27,29)
InChIKeyMWZISHAXIOTFSO-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27845680
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 26206430
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 4828554
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 2683038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 4828613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,3,4,5-tetrafluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26206422
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 8839015
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-4-thiophen-2-ylbutanamide
CID 26206386
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 42999978
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 31494741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038255

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (CID 26206434) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(C)s2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is MWZISHAXIOTFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-4-5-12-25-19(23)18(20(27)24-22(25)29)26(21(28)17-11-10-14(2)31-17)13-15-8-6-7-9-16(15)30-3/h6-11H,4-5,12-13,23H2,1-3H3,(H,24,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.14, 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-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 26206434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).