(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide

C12H19N3O3S — CID 107568654

IUPAC(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C12H19N3O3S/c1-3-4-11(13)12(16)15-9-5-7-10(8-6-9)19(17,18)14-2/h5-8,11,14H,3-4,13H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyCKMWJOFUHANAIS-NSHDSACASA-N
MW285.37 g/mol
LogP0.66
Rot. Bonds6

About (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide

(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide (PubChem CID 107568654) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
PubChem CID107568654
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C12H19N3O3S/c1-3-4-11(13)12(16)15-9-5-7-10(8-6-9)19(17,18)14-2/h5-8,11,14H,3-4,13H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyCKMWJOFUHANAIS-NSHDSACASA-N
XLogP0.66
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
CID 60851728
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 80542754
2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide (CID 107568654) is (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide?
The InChIKey is CKMWJOFUHANAIS-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-4-11(13)12(16)15-9-5-7-10(8-6-9)19(17,18)14-2/h5-8,11,14H,3-4,13H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide?
(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide has a molecular weight of 285.37 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 107568654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).