N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide

C19H23ClN2O3S2 — CID 46634049

IUPACN-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
SMILESCC(SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O3S2/c1-14(19(23)21-12-16-8-4-5-10-18(16)20)26-13-15-7-6-9-17(11-15)27(24,25)22(2)3/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyQUGCHERTWGVFSU-UHFFFAOYSA-N
MW426.99 g/mol
LogP3.53
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide

N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide (PubChem CID 46634049) has the molecular formula C19H23ClN2O3S2 and a molecular weight of 426.99 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
PubChem CID46634049
Molecular FormulaC19H23ClN2O3S2
Molecular Weight426.99 g/mol
Exact Mass426.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
SMILESCC(SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O3S2/c1-14(19(23)21-12-16-8-4-5-10-18(16)20)26-13-15-7-6-9-17(11-15)27(24,25)22(2)3/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyQUGCHERTWGVFSU-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 56811597
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide
CID 56807991
(2S)-N-benzyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methylpropanamide
CID 94038343
(2R)-N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41259137
N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 45351660
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56809546
N-[(2-chlorophenyl)methyl]-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propanamide
CID 18097398
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434
N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 18094060
3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide
CID 109064739
N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide
CID 35064015
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 39896084

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide (CID 46634049) is N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide is CC(SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide?
The InChIKey is QUGCHERTWGVFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S2/c1-14(19(23)21-12-16-8-4-5-10-18(16)20)26-13-15-7-6-9-17(11-15)27(24,25)22(2)3/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide?
N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide has a molecular weight of 426.99 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide is sourced from PubChem (CID 46634049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).