4-amino-3-benzylsulfanylbenzamide

C14H14N2OS — CID 55189643

IUPAC4-amino-3-benzylsulfanylbenzamide
SMILESNC(=O)c1ccc(N)c(SCc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9,15H2,(H2,16,17)
InChIKeyYSAHSZRYRGMZFA-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.66
Rot. Bonds4

About 4-amino-3-benzylsulfanylbenzamide

4-amino-3-benzylsulfanylbenzamide (PubChem CID 55189643) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-amino-3-benzylsulfanylbenzamide.

Molecular Properties

Compound Name4-amino-3-benzylsulfanylbenzamide
PubChem CID55189643
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name4-amino-3-benzylsulfanylbenzamide
SMILESNC(=O)c1ccc(N)c(SCc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9,15H2,(H2,16,17)
InChIKeyYSAHSZRYRGMZFA-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

4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide
CID 79528043
3-[(2-aminophenyl)sulfanylmethyl]benzoic acid
CID 61317411
methyl 3-amino-4-benzylsulfanylbenzoate
CID 61312286
4-amino-3-tert-butylsulfanylbenzamide
CID 63356717
2-amino-3-benzylsulfanylbenzamide
CID 113333393
2-benzylsulfanyl-4-isocyanoaniline
CID 123441269
4-[(2-chlorophenyl)sulfanylmethyl]benzamide
CID 27312045
2-amino-5-benzylsulfanylpyridine-4-carboxamide
CID 114195736
4-[(2-amino-5-methylphenyl)sulfanylmethyl]-3-fluorobenzamide
CID 79142380
4-[amino(carboxy)methyl]-3-benzylsulfanylbenzoic acid
CID 54369742
2-[2-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetic acid
CID 115461031
2-[4-[(2-amino-5-fluorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 105345258

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-benzylsulfanylbenzamide?
The IUPAC name of 4-amino-3-benzylsulfanylbenzamide (CID 55189643) is 4-amino-3-benzylsulfanylbenzamide.
What is the SMILES notation for 4-amino-3-benzylsulfanylbenzamide?
The canonical SMILES for 4-amino-3-benzylsulfanylbenzamide is NC(=O)c1ccc(N)c(SCc2ccccc2)c1.
What is the InChIKey of 4-amino-3-benzylsulfanylbenzamide?
The InChIKey is YSAHSZRYRGMZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9,15H2,(H2,16,17).
What are the key properties of 4-amino-3-benzylsulfanylbenzamide?
4-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 4-amino-3-benzylsulfanylbenzamide is sourced from PubChem (CID 55189643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).