2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide

C20H27N3O3S2 — CID 45352159

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1
InChIInChI=1S/C20H27N3O3S2/c1-5-9-18(16-10-7-6-8-11-16)22-20(24)15(2)27-19-13-12-17(14-21-19)28(25,26)23(3)4/h6-8,10-15,18H,5,9H2,1-4H3,(H,22,24)
InChIKeyPLDMPKZTVKJAKC-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.47
Rot. Bonds9

About 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide (PubChem CID 45352159) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
PubChem CID45352159
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1
InChIInChI=1S/C20H27N3O3S2/c1-5-9-18(16-10-7-6-8-11-16)22-20(24)15(2)27-19-13-12-17(14-21-19)28(25,26)23(3)4/h6-8,10-15,18H,5,9H2,1-4H3,(H,22,24)
InChIKeyPLDMPKZTVKJAKC-UHFFFAOYSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 25408598
(2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 41361926
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 45351660
(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942
(2S)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 39816503
(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
6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 43015435
(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 40751028
N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
CID 38967801

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide (CID 45352159) is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide is CCCC(NC(=O)C(C)Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide?
The InChIKey is PLDMPKZTVKJAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-5-9-18(16-10-7-6-8-11-16)22-20(24)15(2)27-19-13-12-17(14-21-19)28(25,26)23(3)4/h6-8,10-15,18H,5,9H2,1-4H3,(H,22,24).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide?
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide has a molecular weight of 421.59 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide is sourced from PubChem (CID 45352159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).