(2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide

C15H22N2O3S2 — CID 129370727

IUPAC(2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C
InChIInChI=1S/C15H22N2O3S2/c1-10(9-21-3)15(18)16-13-5-4-6-14(11(13)2)22(19,20)17-12-7-8-12/h4-6,10,12,17H,7-9H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeySASZHXOBGRAAQB-JTQLQIEISA-N
MW342.49 g/mol
LogP2.37
Rot. Bonds7

About (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide

(2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide (PubChem CID 129370727) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide
PubChem CID129370727
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name(2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C
InChIInChI=1S/C15H22N2O3S2/c1-10(9-21-3)15(18)16-13-5-4-6-14(11(13)2)22(19,20)17-12-7-8-12/h4-6,10,12,17H,7-9H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeySASZHXOBGRAAQB-JTQLQIEISA-N
XLogP2.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119815897
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide
CID 71874465
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861
2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
CID 43468799
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551624
3-[(cyclopropylamino)methyl]-2-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079650
N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide
CID 106246055
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide (CID 129370727) is (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide is CSC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C.
What is the InChIKey of (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is SASZHXOBGRAAQB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-10(9-21-3)15(18)16-13-5-4-6-14(11(13)2)22(19,20)17-12-7-8-12/h4-6,10,12,17H,7-9H2,1-3H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide?
(2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 342.49 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 129370727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).