1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea

C17H21N3O4S — CID 44569370

IUPAC1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea
SMILES[3H]c1ccccc1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)oc1C
InChIInChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)/i8T
InChIKeyLVOVQRPAMXCXTM-WTRHXODISA-N
MW365.45 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea

1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea (PubChem CID 44569370) has the molecular formula C17H21N3O4S and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea.

Molecular Properties

Compound Name1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea
PubChem CID44569370
Molecular FormulaC17H21N3O4S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea
SMILES[3H]c1ccccc1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)oc1C
InChIInChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)/i8T
InChIKeyLVOVQRPAMXCXTM-WTRHXODISA-N
XLogP3.41
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea?
The IUPAC name of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea (CID 44569370) is 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea.
What is the SMILES notation for 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea?
The canonical SMILES for 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea is [3H]c1ccccc1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)oc1C.
What is the InChIKey of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea?
The InChIKey is LVOVQRPAMXCXTM-WTRHXODISA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)/i8T.
What are the key properties of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea?
1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea has a molecular weight of 365.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-(2-tritiophenyl)urea is sourced from PubChem (CID 44569370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).