N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide

C25H25N3O3S — CID 17235910

IUPACN-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C25H25N3O3S/c1-17(2)31-22-13-6-10-19(15-22)24(30)28-25(32)27-21-12-7-11-20(16-21)26-23(29)14-18-8-4-3-5-9-18/h3-13,15-17H,14H2,1-2H3,(H,26,29)(H2,27,28,30,32)
InChIKeyFDAVDFZQYHAAOM-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.78
Rot. Bonds7

About N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide

N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide (PubChem CID 17235910) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
PubChem CID17235910
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C25H25N3O3S/c1-17(2)31-22-13-6-10-19(15-22)24(30)28-25(32)27-21-12-7-11-20(16-21)26-23(29)14-18-8-4-3-5-9-18/h3-13,15-17H,14H2,1-2H3,(H,26,29)(H2,27,28,30,32)
InChIKeyFDAVDFZQYHAAOM-UHFFFAOYSA-N
XLogP4.78
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide 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

N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17235868
N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
CID 823875
N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142390
N-[[3-(hexanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 26161976
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142762
N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
CID 17222980
3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779899
N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propoxybenzamide
CID 17109659
methyl 3-[(3-propan-2-yloxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175732
N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142636
3-(3-methylbutoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154914

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide (CID 17235910) is N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)Cc3ccccc3)c2)c1.
What is the InChIKey of N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide?
The InChIKey is FDAVDFZQYHAAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-17(2)31-22-13-6-10-19(15-22)24(30)28-25(32)27-21-12-7-11-20(16-21)26-23(29)14-18-8-4-3-5-9-18/h3-13,15-17H,14H2,1-2H3,(H,26,29)(H2,27,28,30,32).
What are the key properties of N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide?
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide has a molecular weight of 447.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17235910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).