3-amino-2-(2-phenylsulfanylethoxy)benzamide

C15H16N2O2S — CID 107873530

IUPAC3-amino-2-(2-phenylsulfanylethoxy)benzamide
SMILESNC(=O)c1cccc(N)c1OCCSc1ccccc1
InChIInChI=1S/C15H16N2O2S/c16-13-8-4-7-12(15(17)18)14(13)19-9-10-20-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H2,17,18)
InChIKeyQVNQSIAZNMRZFU-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.54
Rot. Bonds6

About 3-amino-2-(2-phenylsulfanylethoxy)benzamide

3-amino-2-(2-phenylsulfanylethoxy)benzamide (PubChem CID 107873530) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-2-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-phenylsulfanylethoxy)benzamide
PubChem CID107873530
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-amino-2-(2-phenylsulfanylethoxy)benzamide
SMILESNC(=O)c1cccc(N)c1OCCSc1ccccc1
InChIInChI=1S/C15H16N2O2S/c16-13-8-4-7-12(15(17)18)14(13)19-9-10-20-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H2,17,18)
InChIKeyQVNQSIAZNMRZFU-UHFFFAOYSA-N
XLogP2.54
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(4-phenylbutoxy)benzamide
CID 107873607
3-amino-2-(6-hydroxyhexoxy)benzamide
CID 114011440
3-amino-2-nonoxybenzamide
CID 107873437
3-amino-4-(2-phenylsulfanylethoxy)benzoic acid
CID 79228420
2-phenylsulfanylethyl hydrogen carbonate
CID 54537895
3-amino-2-(3-fluoropropoxy)benzoic acid
CID 107077492
1-[5-amino-2-(2-phenylsulfanylethoxy)phenyl]ethanone
CID 116540903
3-amino-2-pentoxybenzoic acid
CID 112579762
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
4-methoxy-3-(2-phenylsulfanylethoxy)benzoic acid
CID 79227563
methyl 3-amino-2-(2-phenoxyethoxy)benzoate
CID 115935668

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of 3-amino-2-(2-phenylsulfanylethoxy)benzamide (CID 107873530) is 3-amino-2-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for 3-amino-2-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for 3-amino-2-(2-phenylsulfanylethoxy)benzamide is NC(=O)c1cccc(N)c1OCCSc1ccccc1.
What is the InChIKey of 3-amino-2-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is QVNQSIAZNMRZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-13-8-4-7-12(15(17)18)14(13)19-9-10-20-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H2,17,18).
What are the key properties of 3-amino-2-(2-phenylsulfanylethoxy)benzamide?
3-amino-2-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 288.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 107873530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).