N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide

C15H15N3O2S — CID 169359471

IUPACN-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
SMILESNC(=S)Nc1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2S/c16-15(21)18-12-8-6-11(7-9-12)17-14(19)10-20-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,19)(H3,16,18,21)
InChIKeyPPTCBLUQRCMRPX-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.36
Rot. Bonds5

About N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide

N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide (PubChem CID 169359471) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
PubChem CID169359471
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
SMILESNC(=S)Nc1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2S/c16-15(21)18-12-8-6-11(7-9-12)17-14(19)10-20-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,19)(H3,16,18,21)
InChIKeyPPTCBLUQRCMRPX-UHFFFAOYSA-N
XLogP2.36
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-[4-(cyclopropylamino)phenyl]-2-phenoxyacetamide
CID 112979976
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
N-[4-(2-methoxyanilino)phenyl]-2-phenoxyacetamide
CID 112987353
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
methyl 4-[(2-phenoxyacetyl)carbamothioylamino]benzoate
CID 692113

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide (CID 169359471) is N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide is NC(=S)Nc1ccc(NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide?
The InChIKey is PPTCBLUQRCMRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-15(21)18-12-8-6-11(7-9-12)17-14(19)10-20-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,19)(H3,16,18,21).
What are the key properties of N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide?
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide has a molecular weight of 301.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 169359471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).