N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide

C17H17N3O2S — CID 46819114

IUPACN-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C17H17N3O2S/c1-12(13-6-4-3-5-7-13)19(2)15(21)10-20-11-18-16-14(17(20)22)8-9-23-16/h3-9,11-12H,10H2,1-2H3
InChIKeyHUAWKDUXKAFDTR-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.68
Rot. Bonds4

About N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide

N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide (PubChem CID 46819114) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
PubChem CID46819114
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C17H17N3O2S/c1-12(13-6-4-3-5-7-13)19(2)15(21)10-20-11-18-16-14(17(20)22)8-9-23-16/h3-9,11-12H,10H2,1-2H3
InChIKeyHUAWKDUXKAFDTR-UHFFFAOYSA-N
XLogP2.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 24647786
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 43022059
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
CID 51202548
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 134004002
3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 60988516
N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 30812236
N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 42886212
methyl 3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate
CID 61244486
2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-propylamino]acetic acid
CID 61012494
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24593237
N-(1-aminopropan-2-yl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 119584978
N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111695480

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide (CID 46819114) is N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)Cn1cnc2sccc2c1=O.
What is the InChIKey of N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is HUAWKDUXKAFDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12(13-6-4-3-5-7-13)19(2)15(21)10-20-11-18-16-14(17(20)22)8-9-23-16/h3-9,11-12H,10H2,1-2H3.
What are the key properties of N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 46819114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).