N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide

C17H20N2OS — CID 162730824

IUPACN-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide
SMILESCc1ccc(SN(C)C)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13-9-10-15(21-19(2)3)12-16(13)18-17(20)11-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,18,20)
InChIKeyQGWHHTDIDCHITR-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.74
Rot. Bonds5

About N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide

N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide (PubChem CID 162730824) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide
PubChem CID162730824
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide
SMILESCc1ccc(SN(C)C)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13-9-10-15(21-19(2)3)12-16(13)18-17(20)11-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,18,20)
InChIKeyQGWHHTDIDCHITR-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide
CID 162730887
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 162730879
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide
CID 143961211
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide?
The IUPAC name of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide (CID 162730824) is N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide is Cc1ccc(SN(C)C)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide?
The InChIKey is QGWHHTDIDCHITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-9-10-15(21-19(2)3)12-16(13)18-17(20)11-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,18,20).
What are the key properties of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide?
N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 162730824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).