N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C19H26N4O4S — CID 24982707

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4S/c1-3-4-8-23-16(20)15(17(24)21-19(23)26)22(9-10-27-2)18(25)14-11-12-6-5-7-13(12)28-14/h11H,3-10,20H2,1-2H3,(H,21,24,26)
InChIKeyMDENVTOKCIMXJP-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.76
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 24982707) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID24982707
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4S/c1-3-4-8-23-16(20)15(17(24)21-19(23)26)22(9-10-27-2)18(25)14-11-12-6-5-7-13(12)28-14/h11H,3-10,20H2,1-2H3,(H,21,24,26)
InChIKeyMDENVTOKCIMXJP-UHFFFAOYSA-N
XLogP1.76
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2528678
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethyl-N-(3-methoxypropyl)-4-methylthiophene-2-carboxamide
CID 9441723
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18283444
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 24979006
[2-[[6-Azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate
CID 24980062
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 25162054
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylthiophene-2-carboxamide
CID 8933630
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8933877
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-ethyl-5-methylthiophene-2-carboxamide
CID 16548934
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 24687622
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 24816542
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide
CID 24980608

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 24982707) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is MDENVTOKCIMXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-3-4-8-23-16(20)15(17(24)21-19(23)26)22(9-10-27-2)18(25)14-11-12-6-5-7-13(12)28-14/h11H,3-10,20H2,1-2H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 1.76, 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-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 24982707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).