N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

C29H28N4O6S — CID 23409085

IUPACN-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN1C(=O)COc2ccc(C(=O)C(C)n3cnc4sc(C(=O)Nc5ccccc5OC)c(C)c4c3=O)cc21
InChIInChI=1S/C29H28N4O6S/c1-5-12-32-20-13-18(10-11-22(20)39-14-23(32)34)25(35)17(3)33-15-30-28-24(29(33)37)16(2)26(40-28)27(36)31-19-8-6-7-9-21(19)38-4/h6-11,13,15,17H,5,12,14H2,1-4H3,(H,31,36)
InChIKeyGOGARBVPUAHYFL-UHFFFAOYSA-N
MW560.63 g/mol
LogP4.61
Rot. Bonds8

About N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23409085) has the molecular formula C29H28N4O6S and a molecular weight of 560.63 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID23409085
Molecular FormulaC29H28N4O6S
Molecular Weight560.63 g/mol
Exact Mass560.17
IUPAC NameN-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN1C(=O)COc2ccc(C(=O)C(C)n3cnc4sc(C(=O)Nc5ccccc5OC)c(C)c4c3=O)cc21
InChIInChI=1S/C29H28N4O6S/c1-5-12-32-20-13-18(10-11-22(20)39-14-23(32)34)25(35)17(3)33-15-30-28-24(29(33)37)16(2)26(40-28)27(36)31-19-8-6-7-9-21(19)38-4/h6-11,13,15,17H,5,12,14H2,1-4H3,(H,31,36)
InChIKeyGOGARBVPUAHYFL-UHFFFAOYSA-N
XLogP4.61
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.63
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 1078301
ethyl 3-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 7454012
6-[2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]-4-propyl-1,4-benzoxazin-3-one
CID 23408402
4-ethyl-6-[2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoyl]-1,4-benzoxazin-3-one
CID 23408331
3-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23409712
ethyl (2S)-2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate
CID 1193718
2-methylpropyl 3-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 44638182
propan-2-yl 3-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 40877776
2-phenylethyl 5-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 23408485
2-phenoxyethyl 5-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 23408486
benzyl 3-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 44638190
methyl (2R)-2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate
CID 1193699

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 23409085) is N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide is CCCN1C(=O)COc2ccc(C(=O)C(C)n3cnc4sc(C(=O)Nc5ccccc5OC)c(C)c4c3=O)cc21.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GOGARBVPUAHYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O6S/c1-5-12-32-20-13-18(10-11-22(20)39-14-23(32)34)25(35)17(3)33-15-30-28-24(29(33)37)16(2)26(40-28)27(36)31-19-8-6-7-9-21(19)38-4/h6-11,13,15,17H,5,12,14H2,1-4H3,(H,31,36).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 560.63 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23409085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).