N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C22H19N5O5S — CID 55512604

IUPACN-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)c2ccco2)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H19N5O5S/c1-26(21(30)15-9-10-16(33-15)24-19(28)14-8-5-11-32-14)17-18(23)27(22(31)25-20(17)29)12-13-6-3-2-4-7-13/h2-11H,12,23H2,1H3,(H,24,28)(H,25,29,31)
InChIKeyBDPUOPGSZLKHBT-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.35
Rot. Bonds6

About N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55512604) has the molecular formula C22H19N5O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55512604
Molecular FormulaC22H19N5O5S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC NameN-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)c2ccco2)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H19N5O5S/c1-26(21(30)15-9-10-16(33-15)24-19(28)14-8-5-11-32-14)17-18(23)27(22(31)25-20(17)29)12-13-6-3-2-4-7-13/h2-11H,12,23H2,1H3,(H,24,28)(H,25,29,31)
InChIKeyBDPUOPGSZLKHBT-UHFFFAOYSA-N
XLogP2.35
TPSA143.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 55336833
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 27925601
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55336951
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-5-methylthiophene-2-carboxamide
CID 26119620
N-[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 30889943
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55503389
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55487661
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide
CID 8801016

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55512604) is N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CN(C(=O)c1ccc(NC(=O)c2ccco2)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is BDPUOPGSZLKHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S/c1-26(21(30)15-9-10-16(33-15)24-19(28)14-8-5-11-32-14)17-18(23)27(22(31)25-20(17)29)12-13-6-3-2-4-7-13/h2-11H,12,23H2,1H3,(H,24,28)(H,25,29,31).
What are the key properties of N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55512604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).