(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide

C17H21N3O3S2 — CID 40646942

IUPAC(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1
InChIInChI=1S/C17H21N3O3S2/c1-19(2)17(21)16(13-8-6-5-7-9-13)24-15-11-10-14(12-18-15)25(22,23)20(3)4/h5-12,16H,1-4H3/t16-/m0/s1
InChIKeyALMVWHCXZDWRFS-INIZCTEOSA-N
MW379.51 g/mol
LogP2.25
Rot. Bonds6

About (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide

(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 40646942) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
PubChem CID40646942
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1
InChIInChI=1S/C17H21N3O3S2/c1-19(2)17(21)16(13-8-6-5-7-9-13)24-15-11-10-14(12-18-15)25(22,23)20(3)4/h5-12,16H,1-4H3/t16-/m0/s1
InChIKeyALMVWHCXZDWRFS-INIZCTEOSA-N
XLogP2.25
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide (CID 40646942) is (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1.
What is the InChIKey of (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is ALMVWHCXZDWRFS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-19(2)17(21)16(13-8-6-5-7-9-13)24-15-11-10-14(12-18-15)25(22,23)20(3)4/h5-12,16H,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 379.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 40646942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).