1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid

C126H116N8O20S — CID 160859144

IUPAC1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid
SMILESC#Cc1ccc(C(=O)Cc2ccccc2S(=O)(=O)N(C)C)cc1.C=C(OC)c1ccccc1CC(=O)Cc1cccc(C#N)c1.CC(=O)c1cccc(NC(=O)Nc2ccccc2C(C)=O)c1.CC(=O)c1ccccc1CC(=O)Cc1ccccc1C(C)=O.CCC(=O)c1ccccc1NC(=O)Nc1ccc(C(C)=O)cc1.COC(=O)c1ccccc1NC(=O)Nc1ccc2ccccc2c1.O=C(Cc1ccccc1)Cc1ccccc1C(=O)O
InChIInChI=1S/C19H16N2O3.C19H17NO2.C19H18O3.C18H18N2O3.C18H17NO3S.C17H16N2O3.C16H14O3/c1-24-18(22)16-8-4-5-9-17(16)21-19(23)20-15-11-10-13-6-2-3-7-14(13)12-15;1-14(22-2)19-9-4-3-8-17(19)12-18(21)11-15-6-5-7-16(10-15)13-20;1-13(20)18-9-5-3-7-15(18)11-17(22)12-16-8-4-6-10-19(16)14(2)21;1-3-17(22)15-6-4-5-7-16(15)20-18(23)19-14-10-8-13(9-11-14)12(2)21;1-4-14-9-11-15(12-10-14)17(20)13-16-7-5-6-8-18(16)23(21,22)19(2)3;1-11(20)13-6-5-7-14(10-13)18-17(22)19-16-9-4-3-8-15(16)12(2)21;17-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16(18)19/h2-12H,1H3,(H2,20,21,23);3-10H,1,11-12H2,2H3;3-10H,11-12H2,1-2H3;4-11H,3H2,1-2H3,(H2,19,20,23);1,5-12H,13H2,2-3H3;3-10H,1-2H3,(H2,18,19,22);1-9H,10-11H2,(H,18,19)
InChIKeySKGGPYSJGOXPDF-UHFFFAOYSA-N
MW2094.42 g/mol
LogP24.19
Rot. Bonds34

About 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid

1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid (PubChem CID 160859144) has the molecular formula C126H116N8O20S and a molecular weight of 2094.42 g/mol. Its IUPAC name is 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid.

Molecular Properties

Compound Name1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid
PubChem CID160859144
Molecular FormulaC126H116N8O20S
Molecular Weight2094.42 g/mol
Exact Mass2092.80
IUPAC Name1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid
SMILESC#Cc1ccc(C(=O)Cc2ccccc2S(=O)(=O)N(C)C)cc1.C=C(OC)c1ccccc1CC(=O)Cc1cccc(C#N)c1.CC(=O)c1cccc(NC(=O)Nc2ccccc2C(C)=O)c1.CC(=O)c1ccccc1CC(=O)Cc1ccccc1C(C)=O.CCC(=O)c1ccccc1NC(=O)Nc1ccc(C(C)=O)cc1.COC(=O)c1ccccc1NC(=O)Nc1ccc2ccccc2c1.O=C(Cc1ccccc1)Cc1ccccc1C(=O)O
InChIInChI=1S/C19H16N2O3.C19H17NO2.C19H18O3.C18H18N2O3.C18H17NO3S.C17H16N2O3.C16H14O3/c1-24-18(22)16-8-4-5-9-17(16)21-19(23)20-15-11-10-13-6-2-3-7-14(13)12-15;1-14(22-2)19-9-4-3-8-17(19)12-18(21)11-15-6-5-7-16(10-15)13-20;1-13(20)18-9-5-3-7-15(18)11-17(22)12-16-8-4-6-10-19(16)14(2)21;1-3-17(22)15-6-4-5-7-16(15)20-18(23)19-14-10-8-13(9-11-14)12(2)21;1-4-14-9-11-15(12-10-14)17(20)13-16-7-5-6-8-18(16)23(21,22)19(2)3;1-11(20)13-6-5-7-14(10-13)18-17(22)19-16-9-4-3-8-15(16)12(2)21;17-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16(18)19/h2-12H,1H3,(H2,20,21,23);3-10H,1,11-12H2,2H3;3-10H,11-12H2,1-2H3;4-11H,3H2,1-2H3,(H2,19,20,23);1,5-12H,13H2,2-3H3;3-10H,1-2H3,(H2,18,19,22);1-9H,10-11H2,(H,18,19)
InChIKeySKGGPYSJGOXPDF-UHFFFAOYSA-N
XLogP24.19
TPSA428.09 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002094.42
LogP ≤ 524.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one
CID 158834589
1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;ethyl 4-[3-oxo-4-(2-propanoylphenyl)butyl]benzoate;methyl 2-[4-(3-methoxycarbonylphenyl)-2-oxobutyl]benzoate;methyl 2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]benzoate
CID 159035073
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
3-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16786471
2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
2-[2-(3-cyanoanilino)-2-oxoethyl]benzoic acid
CID 53368897
ethyl 4-[(3-cyanophenyl)carbamoylamino]benzoate
CID 46859859
1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea
CID 58506375
3-[(3-ethynylphenyl)carbamoylamino]benzoic acid
CID 61192538
methyl 4-[[3-[(3-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057740
methyl 2-[(3-cyanoanilino)methyl]benzoate
CID 43762462
3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
CID 87021499

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid?
The IUPAC name of 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid (CID 160859144) is 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid.
What is the SMILES notation for 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid?
The canonical SMILES for 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid is C#Cc1ccc(C(=O)Cc2ccccc2S(=O)(=O)N(C)C)cc1.C=C(OC)c1ccccc1CC(=O)Cc1cccc(C#N)c1.CC(=O)c1cccc(NC(=O)Nc2ccccc2C(C)=O)c1.CC(=O)c1ccccc1CC(=O)Cc1ccccc1C(C)=O.CCC(=O)c1ccccc1NC(=O)Nc1ccc(C(C)=O)cc1.COC(=O)c1ccccc1NC(=O)Nc1ccc2ccccc2c1.O=C(Cc1ccccc1)Cc1ccccc1C(=O)O.
What is the InChIKey of 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid?
The InChIKey is SKGGPYSJGOXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3.C19H17NO2.C19H18O3.C18H18N2O3.C18H17NO3S.C17H16N2O3.C16H14O3/c1-24-18(22)16-8-4-5-9-17(16)21-19(23)20-15-11-10-13-6-2-3-7-14(13)12-15;1-14(22-2)19-9-4-3-8-17(19)12-18(21)11-15-6-5-7-16(10-15)13-20;1-13(20)18-9-5-3-7-15(18)11-17(22)12-16-8-4-6-10-19(16)14(2)21;1-3-17(22)15-6-4-5-7-16(15)20-18(23)19-14-10-8-13(9-11-14)12(2)21;1-4-14-9-11-15(12-10-14)17(20)13-16-7-5-6-8-18(16)23(21,22)19(2)3;1-11(20)13-6-5-7-14(10-13)18-17(22)19-16-9-4-3-8-15(16)12(2)21;17-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16(18)19/h2-12H,1H3,(H2,20,21,23);3-10H,1,11-12H2,2H3;3-10H,11-12H2,1-2H3;4-11H,3H2,1-2H3,(H2,19,20,23);1,5-12H,13H2,2-3H3;3-10H,1-2H3,(H2,18,19,22);1-9H,10-11H2,(H,18,19).
What are the key properties of 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid?
1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid has a molecular weight of 2094.42 g/mol, XLogP of 24.19, 34 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylphenyl)-3-(3-acetylphenyl)urea;1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one;2-[2-(4-ethynylphenyl)-2-oxoethyl]-N,N-dimethylbenzenesulfonamide;3-[3-[2-(1-methoxyethenyl)phenyl]-2-oxopropyl]benzonitrile;methyl 2-(naphthalen-2-ylcarbamoylamino)benzoate;2-(2-oxo-3-phenylpropyl)benzoic acid is sourced from PubChem (CID 160859144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).