N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide

C17H20ClN3O3S2 — CID 45351660

IUPACN-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O3S2/c1-12(17(22)20-10-13-6-4-5-7-15(13)18)25-16-9-8-14(11-19-16)26(23,24)21(2)3/h4-9,11-12H,10H2,1-3H3,(H,20,22)
InChIKeySUAICMIDPHHWQF-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.78
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide

N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 45351660) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID45351660
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O3S2/c1-12(17(22)20-10-13-6-4-5-7-15(13)18)25-16-9-8-14(11-19-16)26(23,24)21(2)3/h4-9,11-12H,10H2,1-3H3,(H,20,22)
InChIKeySUAICMIDPHHWQF-UHFFFAOYSA-N
XLogP2.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 43029283
(2R)-N-(3-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 7759639
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
CID 45352159
N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 46634049
6-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 42952340
6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 38968038
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 11924878
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 11924879
N-[(2-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 51234017
N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
CID 38967801
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide (CID 45351660) is N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide is CC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is SUAICMIDPHHWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c1-12(17(22)20-10-13-6-4-5-7-15(13)18)25-16-9-8-14(11-19-16)26(23,24)21(2)3/h4-9,11-12H,10H2,1-3H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 413.95 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 45351660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).