2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

C20H19NOS2 — CID 9290006

IUPAC2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CSCc1ccccc1)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H19NOS2/c22-19(15-23-14-16-8-3-1-4-9-16)21-20(18-12-7-13-24-18)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,21,22)/t20-/m0/s1
InChIKeyVMIUBKJCLUVNJK-FQEVSTJZSA-N
MW353.51 g/mol
LogP4.89
Rot. Bonds7

About 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 9290006) has the molecular formula C20H19NOS2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID9290006
Molecular FormulaC20H19NOS2
Molecular Weight353.51 g/mol
Exact Mass353.09
IUPAC Name2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CSCc1ccccc1)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H19NOS2/c22-19(15-23-14-16-8-3-1-4-9-16)21-20(18-12-7-13-24-18)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,21,22)/t20-/m0/s1
InChIKeyVMIUBKJCLUVNJK-FQEVSTJZSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylpropanoate
CID 9344511
ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate
CID 9286941
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55751667
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487345
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8806674
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826845
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40986235
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
4-phenylsulfanyl-N-[phenyl(thiophen-2-yl)methyl]butanamide
CID 24683529

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (CID 9290006) is 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is O=C(CSCc1ccccc1)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is VMIUBKJCLUVNJK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19NOS2/c22-19(15-23-14-16-8-3-1-4-9-16)21-20(18-12-7-13-24-18)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,21,22)/t20-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 9290006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).