(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide

C21H25FN2O3S — CID 55941118

IUPAC(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H25FN2O3S/c1-16(24-28(26,27)19-7-3-2-4-8-19)20(25)23-15-21(13-5-6-14-21)17-9-11-18(22)12-10-17/h2-4,7-12,16,24H,5-6,13-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyNSXJLJNURTWFCL-INIZCTEOSA-N
MW404.51 g/mol
LogP3.12
Rot. Bonds7

About (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide

(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide (PubChem CID 55941118) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide
PubChem CID55941118
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H25FN2O3S/c1-16(24-28(26,27)19-7-3-2-4-8-19)20(25)23-15-21(13-5-6-14-21)17-9-11-18(22)12-10-17/h2-4,7-12,16,24H,5-6,13-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyNSXJLJNURTWFCL-INIZCTEOSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
CID 119293561
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid
CID 97324345
(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 6935034
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731221
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935171
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131944233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide (CID 55941118) is (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide?
The InChIKey is NSXJLJNURTWFCL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-16(24-28(26,27)19-7-3-2-4-8-19)20(25)23-15-21(13-5-6-14-21)17-9-11-18(22)12-10-17/h2-4,7-12,16,24H,5-6,13-15H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide?
(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 55941118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).