N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide

C17H18N2O2S — CID 46897925

IUPACN-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide
SMILESNC(=O)CCNC(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C17H18N2O2S/c18-16(20)10-11-19-17(21)14-8-4-5-9-15(14)22-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,18,20)(H,19,21)
InChIKeyUPRULKKNHRJUIV-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.58
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide

N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide (PubChem CID 46897925) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide
PubChem CID46897925
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide
SMILESNC(=O)CCNC(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C17H18N2O2S/c18-16(20)10-11-19-17(21)14-8-4-5-9-15(14)22-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,18,20)(H,19,21)
InChIKeyUPRULKKNHRJUIV-UHFFFAOYSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide (CID 46897925) is N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide is NC(=O)CCNC(=O)c1ccccc1SCc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide?
The InChIKey is UPRULKKNHRJUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c18-16(20)10-11-19-17(21)14-8-4-5-9-15(14)22-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,18,20)(H,19,21).
What are the key properties of N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide?
N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide is sourced from PubChem (CID 46897925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).