(2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C20H25N3O3S2 — CID 7602936

IUPAC(2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESCN(C)C(=O)[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1
InChIInChI=1S/C20H25N3O3S2/c1-22(2)20(24)19(16-9-5-3-6-10-16)27-18-12-11-17(15-21-18)28(25,26)23-13-7-4-8-14-23/h3,5-6,9-12,15,19H,4,7-8,13-14H2,1-2H3/t19-/m0/s1
InChIKeyQKDXAYBMQGXDIN-IBGZPJMESA-N
MW419.57 g/mol
LogP3.18
Rot. Bonds6

About (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

(2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 7602936) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID7602936
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name(2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESCN(C)C(=O)[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1
InChIInChI=1S/C20H25N3O3S2/c1-22(2)20(24)19(16-9-5-3-6-10-16)27-18-12-11-17(15-21-18)28(25,26)23-13-7-4-8-14-23/h3,5-6,9-12,15,19H,4,7-8,13-14H2,1-2H3/t19-/m0/s1
InChIKeyQKDXAYBMQGXDIN-IBGZPJMESA-N
XLogP3.18
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide with MolForge

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Related Compounds

(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942
(2R)-N-methyl-N-phenyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 25343806
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41088397
methyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoate
CID 42929024
(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 41327672
(2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 41291104
(2S)-N-propan-2-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 39965753
N-(3-methyl-1-phenylbutyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 43029124
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
N-cycloheptyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625230
(2S)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561729
(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561730

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 7602936) is (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is CN(C)C(=O)[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1.
What is the InChIKey of (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is QKDXAYBMQGXDIN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-22(2)20(24)19(16-9-5-3-6-10-16)27-18-12-11-17(15-21-18)28(25,26)23-13-7-4-8-14-23/h3,5-6,9-12,15,19H,4,7-8,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
(2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 419.57 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 7602936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).