N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide

C16H17NOS — CID 107020688

IUPACN-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C16H17NOS/c1-17(12-14-5-3-2-4-6-14)16(18)11-13-7-9-15(19)10-8-13/h2-10,19H,11-12H2,1H3
InChIKeyGUVAOOVFPBEXAE-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.18
Rot. Bonds4

About N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide

N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107020688) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107020688
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C16H17NOS/c1-17(12-14-5-3-2-4-6-14)16(18)11-13-7-9-15(19)10-8-13/h2-10,19H,11-12H2,1H3
InChIKeyGUVAOOVFPBEXAE-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107025972
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
N-(diphenylphosphorylmethyl)-N-methyl-2-phenylacetamide
CID 10044246
N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide
CID 42852735
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026055
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
4-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 166815657
N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide
CID 23368261

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide (CID 107020688) is N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide is CN(Cc1ccccc1)C(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is GUVAOOVFPBEXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-17(12-14-5-3-2-4-6-14)16(18)11-13-7-9-15(19)10-8-13/h2-10,19H,11-12H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide?
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 271.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107020688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).