4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide

C17H18N2O2S — CID 7509866

IUPAC4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide
SMILESC[C@H](SCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-12(13-5-3-2-4-6-13)22-11-16(20)19-15-9-7-14(8-10-15)17(18)21/h2-10,12H,11H2,1H3,(H2,18,21)(H,19,20)/t12-/m0/s1
InChIKeyXOZSSCRFLNSFPX-LBPRGKRZSA-N
MW314.41 g/mol
LogP3.22
Rot. Bonds6

About 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide

4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide (PubChem CID 7509866) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide
PubChem CID7509866
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide
SMILESC[C@H](SCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-12(13-5-3-2-4-6-13)22-11-16(20)19-15-9-7-14(8-10-15)17(18)21/h2-10,12H,11H2,1H3,(H2,18,21)(H,19,20)/t12-/m0/s1
InChIKeyXOZSSCRFLNSFPX-LBPRGKRZSA-N
XLogP3.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(4-carbamoylanilino)-4-oxo-2-phenylbutanoic acid
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methyl (2S)-2-(2-anilino-2-oxoethyl)sulfanylpropanoate
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2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid
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[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
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2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467013
4-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 2417850
4-[[(2R)-2-(benzhydrylamino)propanoyl]amino]benzamide
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CID 26465908
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CID 55913610

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide (CID 7509866) is 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide is C[C@H](SCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide?
The InChIKey is XOZSSCRFLNSFPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12(13-5-3-2-4-6-13)22-11-16(20)19-15-9-7-14(8-10-15)17(18)21/h2-10,12H,11H2,1H3,(H2,18,21)(H,19,20)/t12-/m0/s1.
What are the key properties of 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide?
4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide has a molecular weight of 314.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 7509866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).