N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C18H19N5O2S — CID 39085150

IUPACN-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCC(=O)NCCNC(=O)CNc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H19N5O2S/c1-12(24)19-7-8-20-16(25)10-21-17-14-9-15(13-5-3-2-4-6-13)26-18(14)23-11-22-17/h2-6,9,11H,7-8,10H2,1H3,(H,19,24)(H,20,25)(H,21,22,23)
InChIKeyAHSXVBPOTZFHNG-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.02
Rot. Bonds7

About N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 39085150) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID39085150
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCC(=O)NCCNC(=O)CNc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H19N5O2S/c1-12(24)19-7-8-20-16(25)10-21-17-14-9-15(13-5-3-2-4-6-13)26-18(14)23-11-22-17/h2-6,9,11H,7-8,10H2,1H3,(H,19,24)(H,20,25)(H,21,22,23)
InChIKeyAHSXVBPOTZFHNG-UHFFFAOYSA-N
XLogP2.02
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085196
2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133367589
ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 47081244
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 4809970
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916
N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39082204
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500
N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 133296139
ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate
CID 39082118
(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 28840002

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 39085150) is N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is CC(=O)NCCNC(=O)CNc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is AHSXVBPOTZFHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12(24)19-7-8-20-16(25)10-21-17-14-9-15(13-5-3-2-4-6-13)26-18(14)23-11-22-17/h2-6,9,11H,7-8,10H2,1H3,(H,19,24)(H,20,25)(H,21,22,23).
What are the key properties of N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 39085150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).