(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide

C21H28N2O3S — CID 9108359

IUPAC(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
SMILESCCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-5-10-19(16-11-7-6-8-12-16)20(24)22-17-13-9-14-18(15-17)27(25,26)23-21(2,3)4/h6-9,11-15,19,23H,5,10H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyVDLCWMNIWRONQD-LJQANCHMSA-N
MW388.53 g/mol
LogP4.29
Rot. Bonds7

About (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide

(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide (PubChem CID 9108359) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide.

Molecular Properties

Compound Name(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
PubChem CID9108359
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
SMILESCCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-5-10-19(16-11-7-6-8-12-16)20(24)22-17-13-9-14-18(15-17)27(25,26)23-21(2,3)4/h6-9,11-15,19,23H,5,10H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyVDLCWMNIWRONQD-LJQANCHMSA-N
XLogP4.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9450352
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119270879
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
3-[[(2R)-2-phenylpentanoyl]amino]benzamide
CID 41260026
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 9107906
(2S)-2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219484
tert-butyl N-[2-[[3-[[(2R)-2-phenylbutanoyl]amino]phenyl]sulfonylamino]ethyl]carbamate
CID 52511775
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide?
The IUPAC name of (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide (CID 9108359) is (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide.
What is the SMILES notation for (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide?
The canonical SMILES for (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide is CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide?
The InChIKey is VDLCWMNIWRONQD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-10-19(16-11-7-6-8-12-16)20(24)22-17-13-9-14-18(15-17)27(25,26)23-21(2,3)4/h6-9,11-15,19,23H,5,10H2,1-4H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide?
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide has a molecular weight of 388.53 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide is sourced from PubChem (CID 9108359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).