(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide

C27H37FN4O4S — CID 125060257

IUPAC(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H37FN4O4S/c1-20-14-16-22(17-15-20)18-31(21(2)27(34)29-23-10-6-5-7-11-23)26(33)19-32(37(35,36)30(3)4)25-13-9-8-12-24(25)28/h8-9,12-17,21,23H,5-7,10-11,18-19H2,1-4H3,(H,29,34)/t21-/m1/s1
InChIKeySTUQAVMRSNWWBU-OAQYLSRUSA-N
MW532.68 g/mol
LogP3.61
Rot. Bonds10

About (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide

(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide (PubChem CID 125060257) has the molecular formula C27H37FN4O4S and a molecular weight of 532.68 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
PubChem CID125060257
Molecular FormulaC27H37FN4O4S
Molecular Weight532.68 g/mol
Exact Mass532.25
IUPAC Name(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H37FN4O4S/c1-20-14-16-22(17-15-20)18-31(21(2)27(34)29-23-10-6-5-7-11-23)26(33)19-32(37(35,36)30(3)4)25-13-9-8-12-24(25)28/h8-9,12-17,21,23H,5-7,10-11,18-19H2,1-4H3,(H,29,34)/t21-/m1/s1
InChIKeySTUQAVMRSNWWBU-OAQYLSRUSA-N
XLogP3.61
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]-N-cyclohexylpropanamide
CID 132627367
(2R)-2-[(4-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]-N-cyclohexylpropanamide
CID 100570100
(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100547835
(2S)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100589483
N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132624057
(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 125055667
2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132944489
2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132727320
2-[(4-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133177816
N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133249106
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 132639295
(2R)-2-[(4-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-cyclopentylpropanamide
CID 125062426

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide (CID 125060257) is (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide is Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is STUQAVMRSNWWBU-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H37FN4O4S/c1-20-14-16-22(17-15-20)18-31(21(2)27(34)29-23-10-6-5-7-11-23)26(33)19-32(37(35,36)30(3)4)25-13-9-8-12-24(25)28/h8-9,12-17,21,23H,5-7,10-11,18-19H2,1-4H3,(H,29,34)/t21-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide?
(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 532.68 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 125060257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).