(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide

C20H33N3O3S — CID 8650158

IUPAC(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)19-13-11-17(12-14-19)15(3)21-16(4)20(24)22-18-9-7-8-10-18/h11-16,18,21H,5-10H2,1-4H3,(H,22,24)/t15-,16+/m0/s1
InChIKeyODCJCWMRMLUVJZ-JKSUJKDBSA-N
MW395.57 g/mol
LogP2.82
Rot. Bonds9

About (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide

(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide (PubChem CID 8650158) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
PubChem CID8650158
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)19-13-11-17(12-14-19)15(3)21-16(4)20(24)22-18-9-7-8-10-18/h11-16,18,21H,5-10H2,1-4H3,(H,22,24)/t15-,16+/m0/s1
InChIKeyODCJCWMRMLUVJZ-JKSUJKDBSA-N
XLogP2.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650061
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 8650124
methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate
CID 8650979
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609591
2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55432689
N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 51936691
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966262
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 7803520
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide (CID 8650158) is (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide?
The InChIKey is ODCJCWMRMLUVJZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)19-13-11-17(12-14-19)15(3)21-16(4)20(24)22-18-9-7-8-10-18/h11-16,18,21H,5-10H2,1-4H3,(H,22,24)/t15-,16+/m0/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide?
(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide has a molecular weight of 395.57 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide is sourced from PubChem (CID 8650158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).