1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea

C18H23N3O5S — CID 25181479

IUPAC1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)oc2C)cc1
InChIInChI=1S/C18H23N3O5S/c1-13-16(20-18(22)19-14-6-8-15(25-2)9-7-14)12-17(26-13)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyRZVCZOXXIUMNHD-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea

1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea (PubChem CID 25181479) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
PubChem CID25181479
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)oc2C)cc1
InChIInChI=1S/C18H23N3O5S/c1-13-16(20-18(22)19-14-6-8-15(25-2)9-7-14)12-17(26-13)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyRZVCZOXXIUMNHD-UHFFFAOYSA-N
XLogP3.42
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk-264220A
CID 2810413
(2E)-3-(furan-2-yl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]prop-2-enamide
CID 1326115
N-(4-chlorophenyl)-N'-[2-methyl-5-(piperidinosulfonyl)-3-furyl]urea
CID 2810411
N-(2-furylmethyl)-N'-[3-(4-morpholinylsulfonyl)phenyl]thiourea
CID 2955814
1-(2-Methyl-5-(morpholinosulfonyl)furan-3-yl)-3-phenylurea
CID 25181478
1-Benzhydryl-3-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)urea
CID 25265105
1-(2-Chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)urea
CID 44569828
(S)-1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)-3-(1-phenylethyl)urea
CID 44569830
1-(2-Methyl-5-(4-methylpiperazin-1-ylsulfonyl)furan-3-yl)-3-phenylurea
CID 44569903
1-[5-[2-Methoxyethyl(methyl)sulfamoyl]-2-methylfuran-3-yl]-3-phenylurea
CID 44569904
5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid phenylamide
CID 44569905
5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid dimethylamide
CID 44569906

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea (CID 25181479) is 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea is COc1ccc(NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)oc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The InChIKey is RZVCZOXXIUMNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-13-16(20-18(22)19-14-6-8-15(25-2)9-7-14)12-17(26-13)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea has a molecular weight of 393.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea is sourced from PubChem (CID 25181479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).