5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide

C17H19N3O3S — CID 777124

IUPAC5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)CO1
InChIInChI=1S/C17H19N3O3S/c1-17(2)8-11-12(9-23-17)24-15(13(11)14(18)21)20-16(22)19-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,18,21)(H2,19,20,22)
InChIKeyIDYHRMITSUOUJS-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.34
Rot. Bonds3

About 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide

5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide (PubChem CID 777124) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide
PubChem CID777124
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)CO1
InChIInChI=1S/C17H19N3O3S/c1-17(2)8-11-12(9-23-17)24-15(13(11)14(18)21)20-16(22)19-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,18,21)(H2,19,20,22)
InChIKeyIDYHRMITSUOUJS-UHFFFAOYSA-N
XLogP3.34
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide (CID 777124) is 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide is CC1(C)Cc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)CO1.
What is the InChIKey of 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide?
The InChIKey is IDYHRMITSUOUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-17(2)8-11-12(9-23-17)24-15(13(11)14(18)21)20-16(22)19-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,18,21)(H2,19,20,22).
What are the key properties of 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide?
5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(phenylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 777124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).