N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C18H18ClN3O3S — CID 16805570

IUPACN-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C18H18ClN3O3S/c1-9-11(3)26-17-15(9)18(24)22(8-20-17)10(2)16(23)21-13-7-12(19)5-6-14(13)25-4/h5-8,10H,1-4H3,(H,21,23)
InChIKeyZVKCNUZUMHQBPA-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.94
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 16805570) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID16805570
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C18H18ClN3O3S/c1-9-11(3)26-17-15(9)18(24)22(8-20-17)10(2)16(23)21-13-7-12(19)5-6-14(13)25-4/h5-8,10H,1-4H3,(H,21,23)
InChIKeyZVKCNUZUMHQBPA-UHFFFAOYSA-N
XLogP3.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 16805570) is N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is ZVKCNUZUMHQBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-9-11(3)26-17-15(9)18(24)22(8-20-17)10(2)16(23)21-13-7-12(19)5-6-14(13)25-4/h5-8,10H,1-4H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 391.88 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 16805570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).