N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide

C17H16Cl2N4O2S — CID 135953951

IUPACN-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C17H16Cl2N4O2S/c1-2-23(8-13-20-12-6-7-26-16(12)17(25)21-13)9-14(24)22-15-10(18)4-3-5-11(15)19/h3-7H,2,8-9H2,1H3,(H,22,24)(H,20,21,25)
InChIKeyKQFNSAMIGSUVHU-UHFFFAOYSA-N
MW411.31 g/mol
LogP3.75
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide (PubChem CID 135953951) has the molecular formula C17H16Cl2N4O2S and a molecular weight of 411.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide
PubChem CID135953951
Molecular FormulaC17H16Cl2N4O2S
Molecular Weight411.31 g/mol
Exact Mass410.04
IUPAC NameN-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C17H16Cl2N4O2S/c1-2-23(8-13-20-12-6-7-26-16(12)17(25)21-13)9-14(24)22-15-10(18)4-3-5-11(15)19/h3-7H,2,8-9H2,1H3,(H,22,24)(H,20,21,25)
InChIKeyKQFNSAMIGSUVHU-UHFFFAOYSA-N
XLogP3.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide with MolForge

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Related Compounds

CID 901567
CID 901567
CID 155516399
CID 155516399
CID 118724084
CID 118724084
CID 135501955
CID 135501955
CID 155558563
CID 155558563
CID 2516821
CID 2516821
CID 9551900
CID 9551900
CID 901568
CID 901568
CID 3594455
CID 3594455
CID 135415506
CID 135415506
CID 4323594
CID 4323594
CID 1315313
CID 1315313

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide (CID 135953951) is N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide?
The InChIKey is KQFNSAMIGSUVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2S/c1-2-23(8-13-20-12-6-7-26-16(12)17(25)21-13)9-14(24)22-15-10(18)4-3-5-11(15)19/h3-7H,2,8-9H2,1H3,(H,22,24)(H,20,21,25).
What are the key properties of N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide has a molecular weight of 411.31 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135953951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).