N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide

C109H120Cl7FN6O14S6 — CID 173071333

About N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide

N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 173071333) has the molecular formula C109H120Cl7FN6O14S6 and a molecular weight of 2197.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
• PubChem CID: 173071333
• Molecular Formula: C109H120Cl7FN6O14S6
• Molecular Weight: 2197.76 g/mol
• Exact Mass: 2192.50
• IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
• SMILES: CN(Cc1c(Cl)cccc1Cl)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccc(Cl)cc1Cl)C(=O)CCCSc1ccc(O)cc1.CN(Cc1cccc(Cl)c1Cl)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccccc1Cl)C(=O)CCCS(=O)c1ccc(O)cc1.CN(Cc1ccccc1F)C(=O)CCCSc1ccc(O)cc1.COc1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1
• InChI: InChI=1S/C19H23NO3S.3C18H19Cl2NO2S.C18H20ClNO3S.C18H20FNO2S/c1-20(14-15-6-3-4-7-18(15)23-2)19(22)8-5-13-24-17-11-9-16(21)10-12-17;1-21(12-15-16(19)4-2-5-17(15)20)18(23)6-3-11-24-14-9-7-13(22)8-10-14;1-21(12-13-4-2-5-16(19)18(13)20)17(23)6-3-11-24-15-9-7-14(22)8-10-15;1-21(12-13-4-5-14(19)11-17(13)20)18(23)3-2-10-24-16-8-6-15(22)7-9-16;1-20(13-14-5-2-3-6-17(14)19)18(22)7-4-12-24(23)16-10-8-15(21)9-11-16;1-20(13-14-5-2-3-6-17(14)19)18(22)7-4-12-23-16-10-8-15(21)9-11-16/h3-4,6-7,9-12,21H,5,8,13-14H2,1-2H3;2*2,4-5,7-10,22H,3,6,11-12H2,1H3;4-9,11,22H,2-3,10,12H2,1H3;2-3,5-6,8-11,21H,4,7,12-13H2,1H3;2-3,5-6,8-11,21H,4,7,12-13H2,1H3
• InChIKey: FIFGMJODJUWHBZ-UHFFFAOYSA-N
• XLogP: 27.28
• TPSA: 269.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 43
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2197.76
LogP ≤ 5	27.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide (CID 173071333) is N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide is CN(Cc1c(Cl)cccc1Cl)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccc(Cl)cc1Cl)C(=O)CCCSc1ccc(O)cc1.CN(Cc1cccc(Cl)c1Cl)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccccc1Cl)C(=O)CCCS(=O)c1ccc(O)cc1.CN(Cc1ccccc1F)C(=O)CCCSc1ccc(O)cc1.COc1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide?

The InChIKey is FIFGMJODJUWHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S.3C18H19Cl2NO2S.C18H20ClNO3S.C18H20FNO2S/c1-20(14-15-6-3-4-7-18(15)23-2)19(22)8-5-13-24-17-11-9-16(21)10-12-17;1-21(12-15-16(19)4-2-5-17(15)20)18(23)6-3-11-24-14-9-7-13(22)8-10-14;1-21(12-13-4-2-5-16(19)18(13)20)17(23)6-3-11-24-15-9-7-14(22)8-10-15;1-21(12-13-4-5-14(19)11-17(13)20)18(23)3-2-10-24-16-8-6-15(22)7-9-16;1-20(13-14-5-2-3-6-17(14)19)18(22)7-4-12-24(23)16-10-8-15(21)9-11-16;1-20(13-14-5-2-3-6-17(14)19)18(22)7-4-12-23-16-10-8-15(21)9-11-16/h3-4,6-7,9-12,21H,5,8,13-14H2,1-2H3;2*2,4-5,7-10,22H,3,6,11-12H2,1H3;4-9,11,22H,2-3,10,12H2,1H3;2-3,5-6,8-11,21H,4,7,12-13H2,1H3;2-3,5-6,8-11,21H,4,7,12-13H2,1H3.

What are the key properties of N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide?

N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 2197.76 g/mol, XLogP of 27.28, 43 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinyl-N-methylbutanamide;N-[(2,3-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,4-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 173071333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).