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

C16H27N3O4S — CID 119693219

IUPAC(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
SMILESCCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O4S/c1-6-23-14-8-7-12(10-15(14)24(21,22)19(4)5)18-16(20)13(17)9-11(2)3/h7-8,10-11,13H,6,9,17H2,1-5H3,(H,18,20)/t13-/m0/s1
InChIKeyMNCKWGIHZPYECK-ZDUSSCGKSA-N
MW357.48 g/mol
LogP1.65
Rot. Bonds8

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

(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide (PubChem CID 119693219) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
PubChem CID119693219
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
SMILESCCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O4S/c1-6-23-14-8-7-12(10-15(14)24(21,22)19(4)5)18-16(20)13(17)9-11(2)3/h7-8,10-11,13H,6,9,17H2,1-5H3,(H,18,20)/t13-/m0/s1
InChIKeyMNCKWGIHZPYECK-ZDUSSCGKSA-N
XLogP1.65
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235
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
(2S)-2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpentanamide;hydrochloride
CID 119687734
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide (CID 119693219) is (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide is CCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide?
The InChIKey is MNCKWGIHZPYECK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-6-23-14-8-7-12(10-15(14)24(21,22)19(4)5)18-16(20)13(17)9-11(2)3/h7-8,10-11,13H,6,9,17H2,1-5H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide?
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide has a molecular weight of 357.48 g/mol, XLogP of 1.65, 8 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]-4-methylpentanamide is sourced from PubChem (CID 119693219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).