(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide

C17H27N3O5S — CID 9470181

IUPAC(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H27N3O5S/c1-7-25-14-9-8-13(10-15(14)26(23,24)20(5)6)19-17(22)16(11(2)3)18-12(4)21/h8-11,16H,7H2,1-6H3,(H,18,21)(H,19,22)/t16-/m1/s1
InChIKeyHWKOERNVVOKVIH-MRXNPFEDSA-N
MW385.49 g/mol
LogP1.43
Rot. Bonds8

About (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide

(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide (PubChem CID 9470181) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
PubChem CID9470181
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H27N3O5S/c1-7-25-14-9-8-13(10-15(14)26(23,24)20(5)6)19-17(22)16(11(2)3)18-12(4)21/h8-11,16H,7H2,1-6H3,(H,18,21)(H,19,22)/t16-/m1/s1
InChIKeyHWKOERNVVOKVIH-MRXNPFEDSA-N
XLogP1.43
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 31743532
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235
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-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55337258
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)acetamide
CID 120666806
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 (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide (CID 9470181) is (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide is CCOc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide?
The InChIKey is HWKOERNVVOKVIH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-7-25-14-9-8-13(10-15(14)26(23,24)20(5)6)19-17(22)16(11(2)3)18-12(4)21/h8-11,16H,7H2,1-6H3,(H,18,21)(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide?
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide has a molecular weight of 385.49 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide is sourced from PubChem (CID 9470181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).