(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide

C14H23N3O3S — CID 107569318

IUPAC(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C14H23N3O3S/c1-5-6-12(15)14(18)16-13-9-11(8-7-10(13)2)21(19,20)17(3)4/h7-9,12H,5-6,15H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyPZXKYAWXMYETMN-LBPRGKRZSA-N
MW313.42 g/mol
LogP1.31
Rot. Bonds6

About (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide

(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide (PubChem CID 107569318) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
PubChem CID107569318
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C14H23N3O3S/c1-5-6-12(15)14(18)16-13-9-11(8-7-10(13)2)21(19,20)17(3)4/h7-9,12H,5-6,15H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyPZXKYAWXMYETMN-LBPRGKRZSA-N
XLogP1.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride
CID 119267336
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 100784760
(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
CID 107143973
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
(2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 9391020

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide (CID 107569318) is (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide is CCC[C@H](N)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C.
What is the InChIKey of (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide?
The InChIKey is PZXKYAWXMYETMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-6-12(15)14(18)16-13-9-11(8-7-10(13)2)21(19,20)17(3)4/h7-9,12H,5-6,15H2,1-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide?
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide has a molecular weight of 313.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide is sourced from PubChem (CID 107569318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).