2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide

C20H20N4O3S — CID 71931463

IUPAC2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(CC1OCCc2ccsc21)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c25-17(12-15-19-14(7-10-27-15)8-11-28-19)23-18(13-4-2-1-3-5-13)20(26)22-16-6-9-21-24-16/h1-6,8-9,11,15,18H,7,10,12H2,(H,23,25)(H2,21,22,24,26)
InChIKeyVTXIGTJACBEWJB-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.97
Rot. Bonds6

About 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide

2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 71931463) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
PubChem CID71931463
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(CC1OCCc2ccsc21)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c25-17(12-15-19-14(7-10-27-15)8-11-28-19)23-18(13-4-2-1-3-5-13)20(26)22-16-6-9-21-24-16/h1-6,8-9,11,15,18H,7,10,12H2,(H,23,25)(H2,21,22,24,26)
InChIKeyVTXIGTJACBEWJB-UHFFFAOYSA-N
XLogP2.97
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide (CID 71931463) is 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide is O=C(CC1OCCc2ccsc21)NC(C(=O)Nc1ccn[nH]1)c1ccccc1.
What is the InChIKey of 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is VTXIGTJACBEWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-17(12-15-19-14(7-10-27-15)8-11-28-19)23-18(13-4-2-1-3-5-13)20(26)22-16-6-9-21-24-16/h1-6,8-9,11,15,18H,7,10,12H2,(H,23,25)(H2,21,22,24,26).
What are the key properties of 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide?
2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 71931463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).