N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide

C30H36N4O8S — CID 142432492

IUPACN-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide
SMILESCOc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)N(C)OC)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
InChIInChI=1S/C30H36N4O8S/c1-18-23-26(35)34(30(2,3)28(36)32(4)39-6)29(37)33(27(23)43-24(18)25-31-13-16-41-25)17-22(42-19-11-14-40-15-12-19)20-9-7-8-10-21(20)38-5/h7-10,13,16,19,22H,11-12,14-15,17H2,1-6H3/t22-/m0/s1
InChIKeyUDPBEDHKFZYCED-QFIPXVFZSA-N
MW612.71 g/mol
LogP3.89
Rot. Bonds10

About N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide

N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide (PubChem CID 142432492) has the molecular formula C30H36N4O8S and a molecular weight of 612.71 g/mol. Its IUPAC name is N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide
PubChem CID142432492
Molecular FormulaC30H36N4O8S
Molecular Weight612.71 g/mol
Exact Mass612.23
IUPAC NameN-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide
SMILESCOc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)N(C)OC)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
InChIInChI=1S/C30H36N4O8S/c1-18-23-26(35)34(30(2,3)28(36)32(4)39-6)29(37)33(27(23)43-24(18)25-31-13-16-41-25)17-22(42-19-11-14-40-15-12-19)20-9-7-8-10-21(20)38-5/h7-10,13,16,19,22H,11-12,14-15,17H2,1-6H3/t22-/m0/s1
InChIKeyUDPBEDHKFZYCED-QFIPXVFZSA-N
XLogP3.89
TPSA127.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide (CID 142432492) is N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide is COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)N(C)OC)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.
What is the InChIKey of N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is UDPBEDHKFZYCED-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H36N4O8S/c1-18-23-26(35)34(30(2,3)28(36)32(4)39-6)29(37)33(27(23)43-24(18)25-31-13-16-41-25)17-22(42-19-11-14-40-15-12-19)20-9-7-8-10-21(20)38-5/h7-10,13,16,19,22H,11-12,14-15,17H2,1-6H3/t22-/m0/s1.
What are the key properties of N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide?
N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 612.71 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 142432492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).