3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate)

C147H189F3N5O22S9-7 — CID 157350093

IUPAC3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate)
SMILESCC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1ccc(CCc2ccc(-c3ccco3)cc2)cc1.Cc1ccc(CCc2ccc(C(=O)C=CN)cc2)cc1.Cc1ccc(CCc2ccc(C(F)(F)F)cn2)cc1.Cc1ccc(CCc2ccc(N3CCCC3=O)cc2)cc1.Cc1ccc(CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1.Cc1ccc(CCc2cccc(OCC3CC3)c2)cc1.Cc1ccc(CCc2cccc(S(=O)(=O)NC(C)C)c2)cc1
InChIInChI=1S/C19H21NO.C19H18O.C19H22O.2C18H23NO2S.C18H19NO.C15H14F3N.7C3H8O2S/c1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)20-14-2-3-19(20)21;1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)19-3-2-14-20-19;1-15-5-7-16(8-6-15)9-10-17-3-2-4-19(13-17)20-14-18-11-12-18;1-14(2)19-22(20,21)18-12-10-17(11-13-18)9-8-16-6-4-15(3)5-7-16;1-14(2)19-22(20,21)18-6-4-5-17(13-18)12-11-16-9-7-15(3)8-10-16;1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18(20)12-13-19;1-11-2-4-12(5-3-11)6-8-14-9-7-13(10-19-14)15(16,17)18;7*1-3(2)6(4)5/h4-7,10-13H,2-3,8-9,14H2,1H3;2-7,10-14H,8-9H2,1H3;2-8,13,18H,9-12,14H2,1H3;4-7,10-14,19H,8-9H2,1-3H3;4-10,13-14,19H,11-12H2,1-3H3;2-5,8-13H,6-7,19H2,1H3;2-5,7,9-10H,6,8H2,1H3;7*3H,1-2H3,(H,4,5)/p-7
InChIKeyNFGATQFREFBZSK-UHFFFAOYSA-G
MW2723.74 g/mol
LogP30.00
Rot. Bonds41

About 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate)

3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate) (PubChem CID 157350093) has the molecular formula C147H189F3N5O22S9-7 and a molecular weight of 2723.74 g/mol. Its IUPAC name is 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate).

Molecular Properties

Compound Name3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate)
PubChem CID157350093
Molecular FormulaC147H189F3N5O22S9-7
Molecular Weight2723.74 g/mol
Exact Mass2721.13
IUPAC Name3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate)
SMILESCC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1ccc(CCc2ccc(-c3ccco3)cc2)cc1.Cc1ccc(CCc2ccc(C(=O)C=CN)cc2)cc1.Cc1ccc(CCc2ccc(C(F)(F)F)cn2)cc1.Cc1ccc(CCc2ccc(N3CCCC3=O)cc2)cc1.Cc1ccc(CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1.Cc1ccc(CCc2cccc(OCC3CC3)c2)cc1.Cc1ccc(CCc2cccc(S(=O)(=O)NC(C)C)c2)cc1
InChIInChI=1S/C19H21NO.C19H18O.C19H22O.2C18H23NO2S.C18H19NO.C15H14F3N.7C3H8O2S/c1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)20-14-2-3-19(20)21;1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)19-3-2-14-20-19;1-15-5-7-16(8-6-15)9-10-17-3-2-4-19(13-17)20-14-18-11-12-18;1-14(2)19-22(20,21)18-12-10-17(11-13-18)9-8-16-6-4-15(3)5-7-16;1-14(2)19-22(20,21)18-6-4-5-17(13-18)12-11-16-9-7-15(3)8-10-16;1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18(20)12-13-19;1-11-2-4-12(5-3-11)6-8-14-9-7-13(10-19-14)15(16,17)18;7*1-3(2)6(4)5/h4-7,10-13H,2-3,8-9,14H2,1H3;2-7,10-14H,8-9H2,1H3;2-8,13,18H,9-12,14H2,1H3;4-7,10-14,19H,8-9H2,1-3H3;4-10,13-14,19H,11-12H2,1-3H3;2-5,8-13H,6-7,19H2,1H3;2-5,7,9-10H,6,8H2,1H3;7*3H,1-2H3,(H,4,5)/p-7
InChIKeyNFGATQFREFBZSK-UHFFFAOYSA-G
XLogP30.00
TPSA471.91 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002723.74
LogP ≤ 530.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate)?
The IUPAC name of 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate) (CID 157350093) is 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate).
What is the SMILES notation for 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate)?
The canonical SMILES for 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate) is CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1ccc(CCc2ccc(-c3ccco3)cc2)cc1.Cc1ccc(CCc2ccc(C(=O)C=CN)cc2)cc1.Cc1ccc(CCc2ccc(C(F)(F)F)cn2)cc1.Cc1ccc(CCc2ccc(N3CCCC3=O)cc2)cc1.Cc1ccc(CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1.Cc1ccc(CCc2cccc(OCC3CC3)c2)cc1.Cc1ccc(CCc2cccc(S(=O)(=O)NC(C)C)c2)cc1.
What is the InChIKey of 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate)?
The InChIKey is NFGATQFREFBZSK-UHFFFAOYSA-G. The full InChI is InChI=1S/C19H21NO.C19H18O.C19H22O.2C18H23NO2S.C18H19NO.C15H14F3N.7C3H8O2S/c1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)20-14-2-3-19(20)21;1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)19-3-2-14-20-19;1-15-5-7-16(8-6-15)9-10-17-3-2-4-19(13-17)20-14-18-11-12-18;1-14(2)19-22(20,21)18-12-10-17(11-13-18)9-8-16-6-4-15(3)5-7-16;1-14(2)19-22(20,21)18-6-4-5-17(13-18)12-11-16-9-7-15(3)8-10-16;1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18(20)12-13-19;1-11-2-4-12(5-3-11)6-8-14-9-7-13(10-19-14)15(16,17)18;7*1-3(2)6(4)5/h4-7,10-13H,2-3,8-9,14H2,1H3;2-7,10-14H,8-9H2,1H3;2-8,13,18H,9-12,14H2,1H3;4-7,10-14,19H,8-9H2,1-3H3;4-10,13-14,19H,11-12H2,1-3H3;2-5,8-13H,6-7,19H2,1H3;2-5,7,9-10H,6,8H2,1H3;7*3H,1-2H3,(H,4,5)/p-7.
What are the key properties of 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate)?
3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate) has a molecular weight of 2723.74 g/mol, XLogP of 30.00, 41 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-(cyclopropylmethoxy)-3-[2-(4-methylphenyl)ethyl]benzene;2-[4-[2-(4-methylphenyl)ethyl]phenyl]furan;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine;heptakis(propane-2-sulfinate) is sourced from PubChem (CID 157350093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).