1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea

C18H22N2O3S — CID 97048851

IUPAC1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
SMILESC[C@H](c1ccco1)N(C(=O)NC[C@@H]1OCCc2sccc21)C1CC1
InChIInChI=1S/C18H22N2O3S/c1-12(15-3-2-8-22-15)20(13-4-5-13)18(21)19-11-16-14-7-10-24-17(14)6-9-23-16/h2-3,7-8,10,12-13,16H,4-6,9,11H2,1H3,(H,19,21)/t12-,16+/m1/s1
InChIKeyRGZJAZDGKRUYSM-WBMJQRKESA-N
MW346.45 g/mol
LogP3.89
Rot. Bonds5

About 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea

1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea (PubChem CID 97048851) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
PubChem CID97048851
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
SMILESC[C@H](c1ccco1)N(C(=O)NC[C@@H]1OCCc2sccc21)C1CC1
InChIInChI=1S/C18H22N2O3S/c1-12(15-3-2-8-22-15)20(13-4-5-13)18(21)19-11-16-14-7-10-24-17(14)6-9-23-16/h2-3,7-8,10,12-13,16H,4-6,9,11H2,1H3,(H,19,21)/t12-,16+/m1/s1
InChIKeyRGZJAZDGKRUYSM-WBMJQRKESA-N
XLogP3.89
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea (CID 97048851) is 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea is C[C@H](c1ccco1)N(C(=O)NC[C@@H]1OCCc2sccc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea?
The InChIKey is RGZJAZDGKRUYSM-WBMJQRKESA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(15-3-2-8-22-15)20(13-4-5-13)18(21)19-11-16-14-7-10-24-17(14)6-9-23-16/h2-3,7-8,10,12-13,16H,4-6,9,11H2,1H3,(H,19,21)/t12-,16+/m1/s1.
What are the key properties of 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea?
1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea has a molecular weight of 346.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 97048851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).