N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C24H28N4O4S — CID 4654533

IUPACN-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)Cn1cnc2sc(C(=O)NC3CCCCC3)c(C)c2c1=O
InChIInChI=1S/C24H28N4O4S/c1-15-20-23(33-21(15)22(30)27-17-9-4-3-5-10-17)26-14-28(24(20)31)13-19(29)25-12-16-8-6-7-11-18(16)32-2/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyHIYXDRLPZKLPDE-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.15
Rot. Bonds7

About N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4654533) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4654533
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)Cn1cnc2sc(C(=O)NC3CCCCC3)c(C)c2c1=O
InChIInChI=1S/C24H28N4O4S/c1-15-20-23(33-21(15)22(30)27-17-9-4-3-5-10-17)26-14-28(24(20)31)13-19(29)25-12-16-8-6-7-11-18(16)32-2/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyHIYXDRLPZKLPDE-UHFFFAOYSA-N
XLogP3.15
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 3579465
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4248676
3-benzyl-N-cycloheptyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496514
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
2-[[3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]ethyl-dimethylazanium
CID 5077735
3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 1092096
N-(2-methoxyphenyl)-5-methyl-3-[2-(2-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 1182133
N-[(2-methoxyphenyl)methyl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 9353632
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 5072117
3-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 45395953
N-(2-methoxyphenyl)-5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23731476

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 4654533) is N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is COc1ccccc1CNC(=O)Cn1cnc2sc(C(=O)NC3CCCCC3)c(C)c2c1=O.
What is the InChIKey of N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HIYXDRLPZKLPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-15-20-23(33-21(15)22(30)27-17-9-4-3-5-10-17)26-14-28(24(20)31)13-19(29)25-12-16-8-6-7-11-18(16)32-2/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4654533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).