(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide

C13H21N3O4S — CID 119273214

IUPAC(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O4S/c1-5-20-11-7-6-10(15-13(17)9(2)14)8-12(11)21(18,19)16(3)4/h6-9H,5,14H2,1-4H3,(H,15,17)/t9-/m0/s1
InChIKeyDIKUYTGXXXEUKM-VIFPVBQESA-N
MW315.40 g/mol
LogP0.62
Rot. Bonds6

About (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide

(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide (PubChem CID 119273214) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
PubChem CID119273214
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O4S/c1-5-20-11-7-6-10(15-13(17)9(2)14)8-12(11)21(18,19)16(3)4/h6-9H,5,14H2,1-4H3,(H,15,17)/t9-/m0/s1
InChIKeyDIKUYTGXXXEUKM-VIFPVBQESA-N
XLogP0.62
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)acetamide
CID 120666806
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 55773525
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 43077928
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide (CID 119273214) is (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide is CCOc1ccc(NC(=O)[C@H](C)N)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The InChIKey is DIKUYTGXXXEUKM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-5-20-11-7-6-10(15-13(17)9(2)14)8-12(11)21(18,19)16(3)4/h6-9H,5,14H2,1-4H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide has a molecular weight of 315.40 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide is sourced from PubChem (CID 119273214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).