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

C22H27BrN2O3S — CID 25044437

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCCCC1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H27BrN2O3S/c1-16-7-5-6-10-20(16)24-22(26)21(15-17-8-3-2-4-9-17)25-29(27,28)19-13-11-18(23)12-14-19/h2-4,8-9,11-14,16,20-21,25H,5-7,10,15H2,1H3,(H,24,26)
InChIKeyRLGZZZGMJPCMJM-UHFFFAOYSA-N
MW479.44 g/mol
LogP4.03
Rot. Bonds7

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

2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide (PubChem CID 25044437) has the molecular formula C22H27BrN2O3S and a molecular weight of 479.44 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide
PubChem CID25044437
Molecular FormulaC22H27BrN2O3S
Molecular Weight479.44 g/mol
Exact Mass478.09
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCCCC1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H27BrN2O3S/c1-16-7-5-6-10-20(16)24-22(26)21(15-17-8-3-2-4-9-17)25-29(27,28)19-13-11-18(23)12-14-19/h2-4,8-9,11-14,16,20-21,25H,5-7,10,15H2,1H3,(H,24,26)
InChIKeyRLGZZZGMJPCMJM-UHFFFAOYSA-N
XLogP4.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R,2R)-2-methylcyclohexyl]-3-phenylpropanamide
CID 92698390
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 124772972
(2R)-N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 124772413
4-bromo-N-[1-(2,6-dimethylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 50740373
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 126009171
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
3-[(4-bromophenyl)sulfonylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9403540

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide (CID 25044437) is 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide is CC1CCCCC1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide?
The InChIKey is RLGZZZGMJPCMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3S/c1-16-7-5-6-10-20(16)24-22(26)21(15-17-8-3-2-4-9-17)25-29(27,28)19-13-11-18(23)12-14-19/h2-4,8-9,11-14,16,20-21,25H,5-7,10,15H2,1H3,(H,24,26).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide has a molecular weight of 479.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide is sourced from PubChem (CID 25044437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).