2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide

C17H24N2O4S — CID 90479852

IUPAC2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)C3(CO)CC3)c2C(N)=O)C(C)(C)O1
InChIInChI=1S/C17H24N2O4S/c1-15(2)7-9-10(12(18)21)13(24-11(9)16(3,4)23-15)19-14(22)17(8-20)5-6-17/h20H,5-8H2,1-4H3,(H2,18,21)(H,19,22)
InChIKeyNSOMEXTZFRFPTE-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.14
Rot. Bonds4

About 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide

2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 90479852) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID90479852
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)C3(CO)CC3)c2C(N)=O)C(C)(C)O1
InChIInChI=1S/C17H24N2O4S/c1-15(2)7-9-10(12(18)21)13(24-11(9)16(3,4)23-15)19-14(22)17(8-20)5-6-17/h20H,5-8H2,1-4H3,(H2,18,21)(H,19,22)
InChIKeyNSOMEXTZFRFPTE-UHFFFAOYSA-N
XLogP2.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide (CID 90479852) is 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide is CC1(C)Cc2c(sc(NC(=O)C3(CO)CC3)c2C(N)=O)C(C)(C)O1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is NSOMEXTZFRFPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-15(2)7-9-10(12(18)21)13(24-11(9)16(3,4)23-15)19-14(22)17(8-20)5-6-17/h20H,5-8H2,1-4H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide?
2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopropanecarbonyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 90479852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).