(2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide

C26H36N4O4S — CID 125061999

IUPAC(2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C26H36N4O4S/c1-20-12-8-9-13-22(20)18-29(21(2)26(32)27-23-14-10-11-15-23)25(31)19-30(35(33,34)28(3)4)24-16-6-5-7-17-24/h5-9,12-13,16-17,21,23H,10-11,14-15,18-19H2,1-4H3,(H,27,32)/t21-/m1/s1
InChIKeyYVGZHEHRXAAFNM-OAQYLSRUSA-N
MW500.67 g/mol
LogP3.08
Rot. Bonds10

About (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide

(2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 125061999) has the molecular formula C26H36N4O4S and a molecular weight of 500.67 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID125061999
Molecular FormulaC26H36N4O4S
Molecular Weight500.67 g/mol
Exact Mass500.25
IUPAC Name(2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C26H36N4O4S/c1-20-12-8-9-13-22(20)18-29(21(2)26(32)27-23-14-10-11-15-23)25(31)19-30(35(33,34)28(3)4)24-16-6-5-7-17-24/h5-9,12-13,16-17,21,23H,10-11,14-15,18-19H2,1-4H3,(H,27,32)/t21-/m1/s1
InChIKeyYVGZHEHRXAAFNM-OAQYLSRUSA-N
XLogP3.08
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.67
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 125070700
N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132624057
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]propanamide
CID 132630104
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]propanamide
CID 132630105
(2S)-N-[(2R)-butan-2-yl]-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125088704
2-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132627044
N-cyclopentyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132617977
N-cyclopentyl-2-[[2-(4-iodo-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132635066
N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-(2-phenylethyl)amino]propanamide
CID 132621330
(2R)-2-[(3-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-cyclohexylpropanamide
CID 100551668
N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132623770
(2R)-N-cyclopentyl-2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125059182

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide (CID 125061999) is (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide is Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is YVGZHEHRXAAFNM-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H36N4O4S/c1-20-12-8-9-13-22(20)18-29(21(2)26(32)27-23-14-10-11-15-23)25(31)19-30(35(33,34)28(3)4)24-16-6-5-7-17-24/h5-9,12-13,16-17,21,23H,10-11,14-15,18-19H2,1-4H3,(H,27,32)/t21-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
(2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 500.67 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 125061999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).