N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C18H21N5OS — CID 10155155

IUPACN-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCN(C(=O)C(c1ccccc1)n1cnc2[nH]ncc2c1=S)C(C)C
InChIInChI=1S/C18H21N5OS/c1-4-22(12(2)3)17(24)15(13-8-6-5-7-9-13)23-11-19-16-14(18(23)25)10-20-21-16/h5-12,15H,4H2,1-3H3,(H,20,21)
InChIKeyIXLWHQVSBHKSSO-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 10155155) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID10155155
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCN(C(=O)C(c1ccccc1)n1cnc2[nH]ncc2c1=S)C(C)C
InChIInChI=1S/C18H21N5OS/c1-4-22(12(2)3)17(24)15(13-8-6-5-7-9-13)23-11-19-16-14(18(23)25)10-20-21-16/h5-12,15H,4H2,1-3H3,(H,20,21)
InChIKeyIXLWHQVSBHKSSO-UHFFFAOYSA-N
XLogP3.34
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 10155155) is N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CCN(C(=O)C(c1ccccc1)n1cnc2[nH]ncc2c1=S)C(C)C.
What is the InChIKey of N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is IXLWHQVSBHKSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-4-22(12(2)3)17(24)15(13-8-6-5-7-9-13)23-11-19-16-14(18(23)25)10-20-21-16/h5-12,15H,4H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 355.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 10155155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).