1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea

C19H25N3O4S — CID 44569830

IUPAC1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H25N3O4S/c1-14(16-9-5-3-6-10-16)20-19(23)21-17-13-18(26-15(17)2)27(24,25)22-11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,20,21,23)/t14-/m0/s1
InChIKeyMDFGPRPZZAGGCJ-AWEZNQCLSA-N
MW391.49 g/mol
LogP3.65
Rot. Bonds5

About 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea

1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea (PubChem CID 44569830) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea
PubChem CID44569830
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H25N3O4S/c1-14(16-9-5-3-6-10-16)20-19(23)21-17-13-18(26-15(17)2)27(24,25)22-11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,20,21,23)/t14-/m0/s1
InChIKeyMDFGPRPZZAGGCJ-AWEZNQCLSA-N
XLogP3.65
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk-264220A
CID 2810413
N-(4-chlorophenyl)-N'-[2-methyl-5-(piperidinosulfonyl)-3-furyl]urea
CID 2810411
1-(2-Methyl-5-(morpholinosulfonyl)furan-3-yl)-3-phenylurea
CID 25181478
1-(4-Methoxyphenyl)-3-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)urea
CID 25181479
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
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
1-(4-Fluorophenyl)-3-[2-methyl-5-(1-piperidinylsulfonyl)-3-furanyl]urea
CID 2810412
1-Phenyl-3-(5-(piperidin-1-ylsulfonyl)furan-3-yl)urea
CID 44569313

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea (CID 44569830) is 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea is Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea?
The InChIKey is MDFGPRPZZAGGCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14(16-9-5-3-6-10-16)20-19(23)21-17-13-18(26-15(17)2)27(24,25)22-11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,20,21,23)/t14-/m0/s1.
What are the key properties of 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea?
1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-[(1S)-1-phenylethyl]urea has a molecular weight of 391.49 g/mol, XLogP of 3.65, 5 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-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 44569830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).