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

C15H22N2O3S2 — CID 56811597

IUPACN-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
SMILESCC(SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1CC1
InChIInChI=1S/C15H22N2O3S2/c1-11(15(18)16-13-7-8-13)21-10-12-5-4-6-14(9-12)22(19,20)17(2)3/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyKHRGZUTYVYCUML-UHFFFAOYSA-N
MW342.49 g/mol
LogP1.84
Rot. Bonds7

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

N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide (PubChem CID 56811597) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
PubChem CID56811597
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
SMILESCC(SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1CC1
InChIInChI=1S/C15H22N2O3S2/c1-11(15(18)16-13-7-8-13)21-10-12-5-4-6-14(9-12)22(19,20)17(2)3/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyKHRGZUTYVYCUML-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 46634049
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide
CID 56807991
(2S)-N-benzyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methylpropanamide
CID 94038343
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56809546
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7666884
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium
CID 9053661
N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide
CID 95763029
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide
CID 42903610
N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide
CID 35064015
N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide
CID 78903302

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide (CID 56811597) is N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide is CC(SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide?
The InChIKey is KHRGZUTYVYCUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-11(15(18)16-13-7-8-13)21-10-12-5-4-6-14(9-12)22(19,20)17(2)3/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide?
N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide has a molecular weight of 342.49 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide is sourced from PubChem (CID 56811597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).