N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide

C17H16F2N2O3S — CID 60572220

IUPACN-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C17H16F2N2O3S/c18-17(19)25-12-7-5-11(6-8-12)15(23)20-9-10-21-16(24)13-3-1-2-4-14(13)22/h1-8,17,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyMNNISVSZHWPCHF-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.87
Rot. Bonds7

About N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide

N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide (PubChem CID 60572220) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide
PubChem CID60572220
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC NameN-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C17H16F2N2O3S/c18-17(19)25-12-7-5-11(6-8-12)15(23)20-9-10-21-16(24)13-3-1-2-4-14(13)22/h1-8,17,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyMNNISVSZHWPCHF-UHFFFAOYSA-N
XLogP2.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethylsulfanyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119507253
4-(difluoromethylsulfanyl)-N-(3-hydroxybutyl)benzamide
CID 111429189
4-(difluoromethylsulfanyl)-N-(4-sulfamoylbutyl)benzamide
CID 125143860
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
CID 60572009
2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide
CID 35930248
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[4-(difluoromethylsulfanyl)anilino]benzamide
CID 112767631
2-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537618
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
CID 41478889
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249800

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide (CID 60572220) is N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide is O=C(NCCNC(=O)c1ccccc1O)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide?
The InChIKey is MNNISVSZHWPCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-17(19)25-12-7-5-11(6-8-12)15(23)20-9-10-21-16(24)13-3-1-2-4-14(13)22/h1-8,17,22H,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide?
N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide has a molecular weight of 366.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 60572220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).