N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide

C19H17N3OS — CID 971142

IUPACN-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=S)Nc2cccc3ccccc23)c1
InChIInChI=1S/C19H17N3OS/c1-13(23)20-15-8-5-9-16(12-15)21-19(24)22-18-11-4-7-14-6-2-3-10-17(14)18/h2-12H,1H3,(H,20,23)(H2,21,22,24)
InChIKeyRSLCHHVYDPFRJP-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.61
Rot. Bonds3

About N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide

N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide (PubChem CID 971142) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide
PubChem CID971142
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=S)Nc2cccc3ccccc23)c1
InChIInChI=1S/C19H17N3OS/c1-13(23)20-15-8-5-9-16(12-15)21-19(24)22-18-11-4-7-14-6-2-3-10-17(14)18/h2-12H,1H3,(H,20,23)(H2,21,22,24)
InChIKeyRSLCHHVYDPFRJP-UHFFFAOYSA-N
XLogP4.61
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide?
The IUPAC name of N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide (CID 971142) is N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC(=S)Nc2cccc3ccccc23)c1.
What is the InChIKey of N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide?
The InChIKey is RSLCHHVYDPFRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13(23)20-15-8-5-9-16(12-15)21-19(24)22-18-11-4-7-14-6-2-3-10-17(14)18/h2-12H,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide?
N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(naphthalen-1-ylcarbamothioylamino)phenyl]acetamide is sourced from PubChem (CID 971142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).