N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide

C23H35N5O4S — CID 24816542

IUPACN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C23H35N5O4S/c1-8-16-9-17(33-15(16)6)22(31)26(7)12-18(29)27(10-13(2)3)19-20(24)28(11-14(4)5)23(32)25-21(19)30/h9,13-14H,8,10-12,24H2,1-7H3,(H,25,30,32)
InChIKeyVZDYPPNOUVHFPL-UHFFFAOYSA-N
MW477.63 g/mol
LogP2.47
Rot. Bonds9

About N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide

N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide (PubChem CID 24816542) has the molecular formula C23H35N5O4S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide
PubChem CID24816542
Molecular FormulaC23H35N5O4S
Molecular Weight477.63 g/mol
Exact Mass477.24
IUPAC NameN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C23H35N5O4S/c1-8-16-9-17(33-15(16)6)22(31)26(7)12-18(29)27(10-13(2)3)19-20(24)28(11-14(4)5)23(32)25-21(19)30/h9,13-14H,8,10-12,24H2,1-7H3,(H,25,30,32)
InChIKeyVZDYPPNOUVHFPL-UHFFFAOYSA-N
XLogP2.47
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide with MolForge

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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
N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 24982707
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 25102362
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-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide
CID 8933620
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
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 24819696

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of 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) is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide is CCc1cc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)sc1C.
What is the InChIKey of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is VZDYPPNOUVHFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4S/c1-8-16-9-17(33-15(16)6)22(31)26(7)12-18(29)27(10-13(2)3)19-20(24)28(11-14(4)5)23(32)25-21(19)30/h9,13-14H,8,10-12,24H2,1-7H3,(H,25,30,32).
What are the key properties of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide?
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 477.63 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 24816542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).