N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide

C17H20N2O3S2 — CID 38967801

IUPACN,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
SMILESCc1ccc(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-12-5-7-14(8-6-12)17(20)13(2)23-16-10-9-15(11-18-16)24(21,22)19(3)4/h5-11,13H,1-4H3/t13-/m1/s1
InChIKeyIPGPVHDJJGZYDV-CYBMUJFWSA-N
MW364.49 g/mol
LogP3.00
Rot. Bonds6

About N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide

N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide (PubChem CID 38967801) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
PubChem CID38967801
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
SMILESCc1ccc(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-12-5-7-14(8-6-12)17(20)13(2)23-16-10-9-15(11-18-16)24(21,22)19(3)4/h5-11,13H,1-4H3/t13-/m1/s1
InChIKeyIPGPVHDJJGZYDV-CYBMUJFWSA-N
XLogP3.00
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide with MolForge

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Related Compounds

6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 38968038
6-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 42952340
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
(2R)-N-(3-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 7759639
N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 43029283
N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide
CID 18092252
(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942
N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 45351660
(2R)-1-(4-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38976733
1-(4-bromophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 46583557
6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 43015435
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
CID 45352159

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide (CID 38967801) is N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide is Cc1ccc(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)cc1.
What is the InChIKey of N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide?
The InChIKey is IPGPVHDJJGZYDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12-5-7-14(8-6-12)17(20)13(2)23-16-10-9-15(11-18-16)24(21,22)19(3)4/h5-11,13H,1-4H3/t13-/m1/s1.
What are the key properties of N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide?
N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 38967801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).