1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea

C22H24N4O7S2 — CID 19387723

IUPAC1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccc(CNC(=O)NS(=O)(=O)c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C22H24N4O7S2/c1-15-3-9-19(10-4-15)34(29,30)25-21(27)23-13-17-7-8-18(33-17)14-24-22(28)26-35(31,32)20-11-5-16(2)6-12-20/h3-12H,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChIKeySESZKSPHURSJIO-UHFFFAOYSA-N
MW520.59 g/mol
LogP2.27
Rot. Bonds8

About 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea

1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea (PubChem CID 19387723) has the molecular formula C22H24N4O7S2 and a molecular weight of 520.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
PubChem CID19387723
Molecular FormulaC22H24N4O7S2
Molecular Weight520.59 g/mol
Exact Mass520.11
IUPAC Name1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccc(CNC(=O)NS(=O)(=O)c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C22H24N4O7S2/c1-15-3-9-19(10-4-15)34(29,30)25-21(27)23-13-17-7-8-18(33-17)14-24-22(28)26-35(31,32)20-11-5-16(2)6-12-20/h3-12H,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChIKeySESZKSPHURSJIO-UHFFFAOYSA-N
XLogP2.27
TPSA163.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea with MolForge

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Related Compounds

1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea
CID 110874499
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110369965
1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea
CID 110319446
1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 110747288
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea
CID 102483434

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea (CID 19387723) is 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea is Cc1ccc(S(=O)(=O)NC(=O)NCc2ccc(CNC(=O)NS(=O)(=O)c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea?
The InChIKey is SESZKSPHURSJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O7S2/c1-15-3-9-19(10-4-15)34(29,30)25-21(27)23-13-17-7-8-18(33-17)14-24-22(28)26-35(31,32)20-11-5-16(2)6-12-20/h3-12H,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea?
1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea has a molecular weight of 520.59 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea is sourced from PubChem (CID 19387723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).