N,N-dimethyl-3-phenacylsulfanylbenzamide

C17H17NO2S — CID 84558154

IUPACN,N-dimethyl-3-phenacylsulfanylbenzamide
SMILESCN(C)C(=O)c1cccc(SCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO2S/c1-18(2)17(20)14-9-6-10-15(11-14)21-12-16(19)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKeyUFRCPLNEMNDSGS-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.36
Rot. Bonds5

About N,N-dimethyl-3-phenacylsulfanylbenzamide

N,N-dimethyl-3-phenacylsulfanylbenzamide (PubChem CID 84558154) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is N,N-dimethyl-3-phenacylsulfanylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-phenacylsulfanylbenzamide
PubChem CID84558154
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC NameN,N-dimethyl-3-phenacylsulfanylbenzamide
SMILESCN(C)C(=O)c1cccc(SCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO2S/c1-18(2)17(20)14-9-6-10-15(11-14)21-12-16(19)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKeyUFRCPLNEMNDSGS-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
2-[(3-phenacylsulfanylbenzoyl)amino]propanoic acid
CID 84557002
3-methyl-2-[(3-phenacylsulfanylbenzoyl)amino]butanoic acid
CID 84557031
N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide
CID 84552506
N-(4-methylpiperazin-1-yl)-3-phenacylsulfanylbenzamide
CID 84557109
N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
CID 60594436
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
CID 43413317
1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
CID 84552661
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenacylsulfanylbenzamide?
The IUPAC name of N,N-dimethyl-3-phenacylsulfanylbenzamide (CID 84558154) is N,N-dimethyl-3-phenacylsulfanylbenzamide.
What is the SMILES notation for N,N-dimethyl-3-phenacylsulfanylbenzamide?
The canonical SMILES for N,N-dimethyl-3-phenacylsulfanylbenzamide is CN(C)C(=O)c1cccc(SCC(=O)c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-3-phenacylsulfanylbenzamide?
The InChIKey is UFRCPLNEMNDSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-18(2)17(20)14-9-6-10-15(11-14)21-12-16(19)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-phenacylsulfanylbenzamide?
N,N-dimethyl-3-phenacylsulfanylbenzamide has a molecular weight of 299.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenacylsulfanylbenzamide is sourced from PubChem (CID 84558154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).