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

C27H37FN4O4S — CID 132624057

IUPACN-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C27H37FN4O4S/c1-20-12-8-9-13-22(20)18-31(21(2)27(34)29-23-14-6-5-7-15-23)26(33)19-32(37(35,36)30(3)4)25-17-11-10-16-24(25)28/h8-13,16-17,21,23H,5-7,14-15,18-19H2,1-4H3,(H,29,34)
InChIKeyQJZCQEMJVJWEQQ-UHFFFAOYSA-N
MW532.68 g/mol
LogP3.61
Rot. Bonds10

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

N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 132624057) has the molecular formula C27H37FN4O4S and a molecular weight of 532.68 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID132624057
Molecular FormulaC27H37FN4O4S
Molecular Weight532.68 g/mol
Exact Mass532.25
IUPAC NameN-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C27H37FN4O4S/c1-20-12-8-9-13-22(20)18-31(21(2)27(34)29-23-14-6-5-7-15-23)26(33)19-32(37(35,36)30(3)4)25-17-11-10-16-24(25)28/h8-13,16-17,21,23H,5-7,14-15,18-19H2,1-4H3,(H,29,34)
InChIKeyQJZCQEMJVJWEQQ-UHFFFAOYSA-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

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Related Compounds

(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 125060257
2-[(4-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]-N-cyclohexylpropanamide
CID 132627367
(2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125061999
(2R)-2-[(4-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]-N-cyclohexylpropanamide
CID 100570100
N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133252397
2-[(2-chlorophenyl)methyl-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132622658
2-[(2-chlorophenyl)methyl-[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132635590
(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100547835
N-cyclohexyl-2-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132623615
N-cyclohexyl-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133174754
N-cyclopentyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132617977
(2S)-N-[(2S)-butan-2-yl]-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 125103168

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide (CID 132624057) is N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide is Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is QJZCQEMJVJWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN4O4S/c1-20-12-8-9-13-22(20)18-31(21(2)27(34)29-23-14-6-5-7-15-23)26(33)19-32(37(35,36)30(3)4)25-17-11-10-16-24(25)28/h8-13,16-17,21,23H,5-7,14-15,18-19H2,1-4H3,(H,29,34).
What are the key properties of N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-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 N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132624057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).