(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide

C20H23BrN2O3S — CID 124583658

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
SMILESO=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O3S/c21-16-10-12-18(13-11-16)27(25,26)23-19(14-15-6-2-1-3-7-15)20(24)22-17-8-4-5-9-17/h1-3,6-7,10-13,17,19,23H,4-5,8-9,14H2,(H,22,24)/t19-/m0/s1
InChIKeyLEZGDELTCJETLX-IBGZPJMESA-N
MW451.39 g/mol
LogP3.40
Rot. Bonds7

About (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide (PubChem CID 124583658) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
PubChem CID124583658
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
SMILESO=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O3S/c21-16-10-12-18(13-11-16)27(25,26)23-19(14-15-6-2-1-3-7-15)20(24)22-17-8-4-5-9-17/h1-3,6-7,10-13,17,19,23H,4-5,8-9,14H2,(H,22,24)/t19-/m0/s1
InChIKeyLEZGDELTCJETLX-IBGZPJMESA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide
CID 25044437
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
CID 40746707
(2S)-N-cyclopentyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165138
N-cyclohexyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871322
4-bromo-N-[1-(2,6-dimethylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 50740373
2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422631
(2R)-N-cyclopentyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646029

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide (CID 124583658) is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide is O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide?
The InChIKey is LEZGDELTCJETLX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c21-16-10-12-18(13-11-16)27(25,26)23-19(14-15-6-2-1-3-7-15)20(24)22-17-8-4-5-9-17/h1-3,6-7,10-13,17,19,23H,4-5,8-9,14H2,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide has a molecular weight of 451.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide is sourced from PubChem (CID 124583658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).