4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide

C15H16N2OS — CID 137364510

IUPAC4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2OS/c1-17(2)15(18)11-3-7-13(8-4-11)19-14-9-5-12(16)6-10-14/h3-10H,16H2,1-2H3
InChIKeyJSGIZXVNWWIOGB-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.12
Rot. Bonds3

About 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide

4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide (PubChem CID 137364510) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide
PubChem CID137364510
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2OS/c1-17(2)15(18)11-3-7-13(8-4-11)19-14-9-5-12(16)6-10-14/h3-10H,16H2,1-2H3
InChIKeyJSGIZXVNWWIOGB-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethylbenzamide;ethanethial
CID 142936880
4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide
CID 57327360
4-(4-aminophenyl)sulfanylbenzamide
CID 68503795
4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide
CID 61370610
4-(4-aminophenyl)sulfanylaniline
CID 8765
4-(4-aminophenyl)sulfanylaniline;pentahydrofluoride
CID 172767370
N,N-dimethyl-4-prop-1-ynylbenzamide
CID 89195364
3,5-bis[(4-aminophenyl)sulfanyl]benzoic acid
CID 134319397
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide?
The IUPAC name of 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide (CID 137364510) is 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide?
The canonical SMILES for 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Sc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide?
The InChIKey is JSGIZXVNWWIOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17(2)15(18)11-3-7-13(8-4-11)19-14-9-5-12(16)6-10-14/h3-10H,16H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide?
4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide has a molecular weight of 272.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide is sourced from PubChem (CID 137364510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).