2-amino-3-benzylsulfanylbenzamide

C14H14N2OS — CID 113333393

IUPAC2-amino-3-benzylsulfanylbenzamide
SMILESNC(=O)c1cccc(SCc2ccccc2)c1N
InChIInChI=1S/C14H14N2OS/c15-13-11(14(16)17)7-4-8-12(13)18-9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H2,16,17)
InChIKeyUGHHILSEBDMANJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.66
Rot. Bonds4

About 2-amino-3-benzylsulfanylbenzamide

2-amino-3-benzylsulfanylbenzamide (PubChem CID 113333393) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-amino-3-benzylsulfanylbenzamide.

Molecular Properties

Compound Name2-amino-3-benzylsulfanylbenzamide
PubChem CID113333393
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-amino-3-benzylsulfanylbenzamide
SMILESNC(=O)c1cccc(SCc2ccccc2)c1N
InChIInChI=1S/C14H14N2OS/c15-13-11(14(16)17)7-4-8-12(13)18-9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H2,16,17)
InChIKeyUGHHILSEBDMANJ-UHFFFAOYSA-N
XLogP2.66
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-benzylsulfanylpyridine-4-carboxamide
CID 114195736
2-amino-3-[(3-methylphenyl)methylsulfanyl]benzoic acid
CID 115547600
2-amino-3-(3-hydroxypropylsulfanyl)benzamide
CID 115547680
2-amino-3-methylsulfanylbenzamide
CID 115547557
2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid
CID 4101619
2-amino-3-(cyclopentylmethylsulfanyl)benzamide
CID 115547631
1-(2-benzylsulfanylphenyl)propan-1-one
CID 112677640
4-amino-3-benzylsulfanylbenzamide
CID 55189643
methyl 3-(2-amino-3-carbamoylphenyl)sulfanylpropanoate
CID 115547531
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
CID 114234242
N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide
CID 46897925
2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzylsulfanylbenzamide?
The IUPAC name of 2-amino-3-benzylsulfanylbenzamide (CID 113333393) is 2-amino-3-benzylsulfanylbenzamide.
What is the SMILES notation for 2-amino-3-benzylsulfanylbenzamide?
The canonical SMILES for 2-amino-3-benzylsulfanylbenzamide is NC(=O)c1cccc(SCc2ccccc2)c1N.
What is the InChIKey of 2-amino-3-benzylsulfanylbenzamide?
The InChIKey is UGHHILSEBDMANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-13-11(14(16)17)7-4-8-12(13)18-9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H2,16,17).
What are the key properties of 2-amino-3-benzylsulfanylbenzamide?
2-amino-3-benzylsulfanylbenzamide has a molecular weight of 258.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzylsulfanylbenzamide is sourced from PubChem (CID 113333393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).