N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide

C21H18N2O3S — CID 1287668

IUPACN-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide
SMILESO=C(CSc1ccccc1)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C21H18N2O3S/c24-18-6-4-5-17(13-18)23-21(26)15-9-11-16(12-10-15)22-20(25)14-27-19-7-2-1-3-8-19/h1-13,24H,14H2,(H,22,25)(H,23,26)
InChIKeyDQDGITNLMCACDI-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.38
Rot. Bonds6

About N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide

N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide (PubChem CID 1287668) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide
PubChem CID1287668
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide
SMILESO=C(CSc1ccccc1)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C21H18N2O3S/c24-18-6-4-5-17(13-18)23-21(26)15-9-11-16(12-10-15)22-20(25)14-27-19-7-2-1-3-8-19/h1-13,24H,14H2,(H,22,25)(H,23,26)
InChIKeyDQDGITNLMCACDI-UHFFFAOYSA-N
XLogP4.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide (CID 1287668) is N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide is O=C(CSc1ccccc1)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide?
The InChIKey is DQDGITNLMCACDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-18-6-4-5-17(13-18)23-21(26)15-9-11-16(12-10-15)22-20(25)14-27-19-7-2-1-3-8-19/h1-13,24H,14H2,(H,22,25)(H,23,26).
What are the key properties of N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide?
N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide has a molecular weight of 378.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-[(2-phenylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 1287668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).