2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide

C16H17ClN2OS — CID 139650052

IUPAC2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide
SMILESCN(C)c1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1
InChIInChI=1S/C16H17ClN2OS/c1-19(2)13-5-9-15(10-6-13)21-14-7-3-12(4-8-14)18-16(20)11-17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyFJLHHOCOFKCTLT-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.08
Rot. Bonds5

About 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide

2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide (PubChem CID 139650052) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide
PubChem CID139650052
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide
SMILESCN(C)c1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1
InChIInChI=1S/C16H17ClN2OS/c1-19(2)13-5-9-15(10-6-13)21-14-7-3-12(4-8-14)18-16(20)11-17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyFJLHHOCOFKCTLT-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide (CID 139650052) is 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide is CN(C)c1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1.
What is the InChIKey of 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide?
The InChIKey is FJLHHOCOFKCTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-19(2)13-5-9-15(10-6-13)21-14-7-3-12(4-8-14)18-16(20)11-17/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide?
2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide has a molecular weight of 320.85 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 139650052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).