N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide

C16H17NOS — CID 23344907

IUPACN-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
SMILESO=C(NC(CS)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c18-16(14-9-5-2-6-10-14)17-15(12-19)11-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H,17,18)
InChIKeyFSHSKKHSLZOGFJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.96
Rot. Bonds5

About N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide

N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide (PubChem CID 23344907) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
PubChem CID23344907
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
SMILESO=C(NC(CS)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c18-16(14-9-5-2-6-10-14)17-15(12-19)11-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H,17,18)
InChIKeyFSHSKKHSLZOGFJ-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
3-[(1-phenyl-3-sulfanylpropan-2-yl)carbamoylamino]benzoic acid
CID 22905511
(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
CID 151924983
N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 22905459
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide?
The IUPAC name of N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide (CID 23344907) is N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide.
What is the SMILES notation for N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide?
The canonical SMILES for N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide is O=C(NC(CS)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide?
The InChIKey is FSHSKKHSLZOGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-16(14-9-5-2-6-10-14)17-15(12-19)11-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H,17,18).
What are the key properties of N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide?
N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide has a molecular weight of 271.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 23344907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).