N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide

C16H21NO4S — CID 99872680

IUPACN-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H21NO4S/c1-16(18,12-15-8-5-10-21-15)13-17-22(19,20)11-9-14-6-3-2-4-7-14/h2-8,10,17-18H,9,11-13H2,1H3/t16-/m0/s1
InChIKeyBVRXSEFSALIYRN-INIZCTEOSA-N
MW323.41 g/mol
LogP1.74
Rot. Bonds8

About N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide

N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide (PubChem CID 99872680) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide
PubChem CID99872680
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC NameN-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H21NO4S/c1-16(18,12-15-8-5-10-21-15)13-17-22(19,20)11-9-14-6-3-2-4-7-14/h2-8,10,17-18H,9,11-13H2,1H3/t16-/m0/s1
InChIKeyBVRXSEFSALIYRN-INIZCTEOSA-N
XLogP1.74
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
CID 90605152
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 90605128
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 90605118
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2,2-diphenylacetamide
CID 90605067
N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
CID 110664059

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide (CID 99872680) is N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide is C[C@@](O)(CNS(=O)(=O)CCc1ccccc1)Cc1ccco1.
What is the InChIKey of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide?
The InChIKey is BVRXSEFSALIYRN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-16(18,12-15-8-5-10-21-15)13-17-22(19,20)11-9-14-6-3-2-4-7-14/h2-8,10,17-18H,9,11-13H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide?
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide has a molecular weight of 323.41 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 99872680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).