N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide

C27H38N4O4S — CID 132621330

IUPACN-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C27H38N4O4S/c1-22(27(33)28-24-15-9-5-10-16-24)30(20-19-23-13-7-4-8-14-23)26(32)21-31(36(34,35)29(2)3)25-17-11-6-12-18-25/h4,6-8,11-14,17-18,22,24H,5,9-10,15-16,19-21H2,1-3H3,(H,28,33)
InChIKeyXKMAVSADZOKGOQ-UHFFFAOYSA-N
MW514.69 g/mol
LogP3.21
Rot. Bonds11

About N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide

N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132621330) has the molecular formula C27H38N4O4S and a molecular weight of 514.69 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132621330
Molecular FormulaC27H38N4O4S
Molecular Weight514.69 g/mol
Exact Mass514.26
IUPAC NameN-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C27H38N4O4S/c1-22(27(33)28-24-15-9-5-10-16-24)30(20-19-23-13-7-4-8-14-23)26(32)21-31(36(34,35)29(2)3)25-17-11-6-12-18-25/h4,6-8,11-14,17-18,22,24H,5,9-10,15-16,19-21H2,1-3H3,(H,28,33)
InChIKeyXKMAVSADZOKGOQ-UHFFFAOYSA-N
XLogP3.21
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.69
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 100518262
N-cyclopentyl-2-[[2-(N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132615646
(2S)-N-cyclohexyl-2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 100518306
(2R)-2-[(3-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-cyclohexylpropanamide
CID 100551668
N-cyclohexyl-2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132621175
N-cyclohexyl-2-[[2-(4-iodo-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132637530
2-[[2-(4-tert-butyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 132625430
(2R)-N-cyclopentyl-2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 125055335
(2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125061999
N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132623770
(2R)-N-cyclohexyl-2-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 125062723
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide (CID 132621330) is N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide is CC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is XKMAVSADZOKGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4S/c1-22(27(33)28-24-15-9-5-10-16-24)30(20-19-23-13-7-4-8-14-23)26(32)21-31(36(34,35)29(2)3)25-17-11-6-12-18-25/h4,6-8,11-14,17-18,22,24H,5,9-10,15-16,19-21H2,1-3H3,(H,28,33).
What are the key properties of N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide?
N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 514.69 g/mol, XLogP of 3.21, 11 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)anilino]acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132621330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).