N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide

C20H21NO3S — CID 101158085

IUPACN-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C20H21NO3S/c1-16-9-11-19(12-10-16)25(22,23)21-15-18(20-8-5-13-24-20)14-17-6-3-2-4-7-17/h2-13,18,21H,14-15H2,1H3/t18-/m1/s1
InChIKeyKISLAPSMWIBLMY-GOSISDBHSA-N
MW355.46 g/mol
LogP3.89
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide

N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 101158085) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID101158085
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C20H21NO3S/c1-16-9-11-19(12-10-16)25(22,23)21-15-18(20-8-5-13-24-20)14-17-6-3-2-4-7-17/h2-13,18,21H,14-15H2,1H3/t18-/m1/s1
InChIKeyKISLAPSMWIBLMY-GOSISDBHSA-N
XLogP3.89
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide
CID 41193070
N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 46403128
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876447
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 16806022
N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 1391150
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 40774952
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4165649
N-[(1R)-1-[[(S)-anilino(furan-2-yl)methyl]-ethoxyphosphoryl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 102322025
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide (CID 101158085) is N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)c2ccco2)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is KISLAPSMWIBLMY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-16-9-11-19(12-10-16)25(22,23)21-15-18(20-8-5-13-24-20)14-17-6-3-2-4-7-17/h2-13,18,21H,14-15H2,1H3/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101158085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).