1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea

C105H122N20O12S4 — CID 158852393

About 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea

1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea (PubChem CID 158852393) has the molecular formula C105H122N20O12S4 and a molecular weight of 1984.53 g/mol. Its IUPAC name is 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea.

Molecular Properties

• Compound Name: 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea
• PubChem CID: 158852393
• Molecular Formula: C105H122N20O12S4
• Molecular Weight: 1984.53 g/mol
• Exact Mass: 1982.84
• IUPAC Name: 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea
• SMILES: CN1CCC(Oc2cc(-c3ccc4c(c3NC(=O)N=S(N)(=O)c3ccccc3)CCC4)ccn2)CC1.CN1CCC(Oc2cc(-c3ccc4c(c3NC(=O)NS(=O)c3ccccc3)CCC4)ccn2)CC1.Cc1cc2c(c(NC(=O)NS(C)(=O)=NC#N)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2.[H]N=S(=O)(NC(=O)Nc1c(-c2ccnc(OC3CCN(C)CC3)c2)ccc2c1CCC2)c1ccccc1
• InChI: InChI=1S/2C27H31N5O3S.C27H30N4O3S.C24H30N6O3S/c2*1-32-16-13-21(14-17-32)35-25-18-20(12-15-29-25)24-11-10-19-6-5-9-23(19)26(24)30-27(33)31-36(28,34)22-7-3-2-4-8-22;1-31-16-13-21(14-17-31)34-25-18-20(12-15-28-25)24-11-10-19-6-5-9-23(19)26(24)29-27(32)30-35(33)22-7-3-2-4-8-22;1-16-13-17-5-4-6-20(17)23(28-24(31)29-34(3,32)27-15-25)22(16)18-7-10-26-21(14-18)33-19-8-11-30(2)12-9-19/h2*2-4,7-8,10-12,15,18,21H,5-6,9,13-14,16-17H2,1H3,(H3,28,30,31,33,34);2-4,7-8,10-12,15,18,21H,5-6,9,13-14,16-17H2,1H3,(H2,29,30,32);7,10,13-14,19H,4-6,8-9,11-12H2,1-3H3,(H2,27,28,29,31,32)
• InChIKey: IZPWFZJHONKFPR-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 420.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1984.53
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea?

The IUPAC name of 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea (CID 158852393) is 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea.

What is the SMILES notation for 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea?

The canonical SMILES for 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea is CN1CCC(Oc2cc(-c3ccc4c(c3NC(=O)N=S(N)(=O)c3ccccc3)CCC4)ccn2)CC1.CN1CCC(Oc2cc(-c3ccc4c(c3NC(=O)NS(=O)c3ccccc3)CCC4)ccn2)CC1.Cc1cc2c(c(NC(=O)NS(C)(=O)=NC#N)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2.[H]N=S(=O)(NC(=O)Nc1c(-c2ccnc(OC3CCN(C)CC3)c2)ccc2c1CCC2)c1ccccc1.

What is the InChIKey of 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea?

The InChIKey is IZPWFZJHONKFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31N5O3S.C27H30N4O3S.C24H30N6O3S/c2*1-32-16-13-21(14-17-32)35-25-18-20(12-15-29-25)24-11-10-19-6-5-9-23(19)26(24)30-27(33)31-36(28,34)22-7-3-2-4-8-22;1-31-16-13-21(14-17-31)34-25-18-20(12-15-28-25)24-11-10-19-6-5-9-23(19)26(24)29-27(32)30-35(33)22-7-3-2-4-8-22;1-16-13-17-5-4-6-20(17)23(28-24(31)29-34(3,32)27-15-25)22(16)18-7-10-26-21(14-18)33-19-8-11-30(2)12-9-19/h2*2-4,7-8,10-12,15,18,21H,5-6,9,13-14,16-17H2,1H3,(H3,28,30,31,33,34);2-4,7-8,10-12,15,18,21H,5-6,9,13-14,16-17H2,1H3,(H2,29,30,32);7,10,13-14,19H,4-6,8-9,11-12H2,1-3H3,(H2,27,28,29,31,32).

What are the key properties of 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea?

1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea has a molecular weight of 1984.53 g/mol, XLogP of 17.68, 22 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(amino-oxo-phenyl-λ6-sulfanylidene)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(benzenesulfinyl)-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(phenylsulfonimidoyl)urea is sourced from PubChem (CID 158852393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).