N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide

C15H23ClN2O3S — CID 97222354

IUPACN-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C15H23ClN2O3S/c1-15(2,3)13(9-11-5-7-12(16)8-6-11)18-14(19)10-22(20,21)17-4/h5-8,13,17H,9-10H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyHSDBIMGLIZKUGH-CYBMUJFWSA-N
MW346.88 g/mol
LogP1.96
Rot. Bonds6

About N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide

N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide (PubChem CID 97222354) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide
PubChem CID97222354
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C15H23ClN2O3S/c1-15(2,3)13(9-11-5-7-12(16)8-6-11)18-14(19)10-22(20,21)17-4/h5-8,13,17H,9-10H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyHSDBIMGLIZKUGH-CYBMUJFWSA-N
XLogP1.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide
CID 71859695
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
CID 96958726
N-[3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
CID 135065921
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 134861731
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3,3-dimethylbutan-1-ol;2,2,2-trifluoroacetic acid
CID 154885625
(2S)-N-[(2S)-1-(4-chlorophenyl)-3-methylbutan-2-yl]-2-methylsulfonylpropanamide
CID 97213225
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 97347801
2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106353084
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
(2S)-2-(3-bromopropanoylamino)-3-(4-chlorophenyl)propanoic acid
CID 23621056

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide (CID 97222354) is N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide?
The InChIKey is HSDBIMGLIZKUGH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-15(2,3)13(9-11-5-7-12(16)8-6-11)18-14(19)10-22(20,21)17-4/h5-8,13,17H,9-10H2,1-4H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide?
N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide has a molecular weight of 346.88 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 97222354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).