2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

C26H31N5O4S — CID 24982124

IUPAC2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCCCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H31N5O4S/c1-3-4-13-30(22(33)17-36-16-21(32)28-20-12-8-9-18(2)14-20)23-24(27)31(26(35)29-25(23)34)15-19-10-6-5-7-11-19/h5-12,14H,3-4,13,15-17,27H2,1-2H3,(H,28,32)(H,29,34,35)
InChIKeyUMLJMXXJGIJLBD-UHFFFAOYSA-N
MW509.63 g/mol
LogP2.98
Rot. Bonds11

About 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 24982124) has the molecular formula C26H31N5O4S and a molecular weight of 509.63 g/mol. Its IUPAC name is 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID24982124
Molecular FormulaC26H31N5O4S
Molecular Weight509.63 g/mol
Exact Mass509.21
IUPAC Name2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCCCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H31N5O4S/c1-3-4-13-30(22(33)17-36-16-21(32)28-20-12-8-9-18(2)14-20)23-24(27)31(26(35)29-25(23)34)15-19-10-6-5-7-11-19/h5-12,14H,3-4,13,15-17,27H2,1-2H3,(H,28,32)(H,29,34,35)
InChIKeyUMLJMXXJGIJLBD-UHFFFAOYSA-N
XLogP2.98
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 2124224
2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2491586
6-(3-Ethyl-4-methyl-phenylamino)-3-(4-thiomorpholin-4-yl-butyl)-1H-pyrimidine-2,4-dione
CID 11025824
N-(2,4-Dioxo-3-phenyl-thiazolidin-5-yl)-N-m-tolyl-acetamide
CID 649976
2-[(3-Benzyl-2,4-dioxo-thiazolidin-5-yl)-phenyl-amino]-acetamide
CID 653164
N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2223138
N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2685109
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 3646367
2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
CID 4068790
5-Anilino-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
CID 4416655
2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 4844457
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 4882613

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (CID 24982124) is 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is CCCCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is UMLJMXXJGIJLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4S/c1-3-4-13-30(22(33)17-36-16-21(32)28-20-12-8-9-18(2)14-20)23-24(27)31(26(35)29-25(23)34)15-19-10-6-5-7-11-19/h5-12,14H,3-4,13,15-17,27H2,1-2H3,(H,28,32)(H,29,34,35).
What are the key properties of 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 509.63 g/mol, XLogP of 2.98, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 24982124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).