2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide

C17H16ClN3O3S — CID 139672515

IUPAC2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide
SMILESCCCOc1ccc(NC(=O)CCl)cc1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C17H16ClN3O3S/c1-2-6-24-13-4-3-10(19-14(22)9-18)8-11(13)16-20-12-5-7-25-15(12)17(23)21-16/h3-5,7-8H,2,6,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyZSWFDFBWGOUVMJ-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.62
Rot. Bonds6

About 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide

2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide (PubChem CID 139672515) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide
PubChem CID139672515
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide
SMILESCCCOc1ccc(NC(=O)CCl)cc1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C17H16ClN3O3S/c1-2-6-24-13-4-3-10(19-14(22)9-18)8-11(13)16-20-12-5-7-25-15(12)17(23)21-16/h3-5,7-8H,2,6,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyZSWFDFBWGOUVMJ-UHFFFAOYSA-N
XLogP3.62
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 139672525
[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]urea
CID 135503843
1-[3-(1,3-dimethyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]-2-methylguanidine
CID 143842589
2-(4-hydroxypiperidin-1-yl)-N-[3-(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide
CID 139668793
2-chloro-N-(9,10-dioxo-4,5-dipropoxyanthracen-2-yl)acetamide
CID 72944246
1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide
CID 135890169
3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 135858082
2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135687396
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
N-(3-methyl-4-propoxyphenyl)propanamide
CID 130460979
N-[4-methyl-3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 167913801
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide (CID 139672515) is 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide is CCCOc1ccc(NC(=O)CCl)cc1-c1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide?
The InChIKey is ZSWFDFBWGOUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-2-6-24-13-4-3-10(19-14(22)9-18)8-11(13)16-20-12-5-7-25-15(12)17(23)21-16/h3-5,7-8H,2,6,9H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide?
2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide has a molecular weight of 377.85 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide is sourced from PubChem (CID 139672515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).