N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide

C16H17N3O2S — CID 2725411

IUPACN-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide
SMILESCCNC(=S)Nc1ccc(NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-17-16(22)19-12-9-7-11(8-10-12)18-15(21)13-5-3-4-6-14(13)20/h3-10,20H,2H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyCOJVLRRXDZMXMS-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.95
Rot. Bonds4

About N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide

N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide (PubChem CID 2725411) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide
PubChem CID2725411
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide
SMILESCCNC(=S)Nc1ccc(NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-17-16(22)19-12-9-7-11(8-10-12)18-15(21)13-5-3-4-6-14(13)20/h3-10,20H,2H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyCOJVLRRXDZMXMS-UHFFFAOYSA-N
XLogP2.95
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide?
The IUPAC name of N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide (CID 2725411) is N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide?
The canonical SMILES for N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide is CCNC(=S)Nc1ccc(NC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide?
The InChIKey is COJVLRRXDZMXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-17-16(22)19-12-9-7-11(8-10-12)18-15(21)13-5-3-4-6-14(13)20/h3-10,20H,2H2,1H3,(H,18,21)(H2,17,19,22).
What are the key properties of N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide?
N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide has a molecular weight of 315.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 2725411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).