(2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C22H30N2O4S — CID 92646042

IUPAC(2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-16-13-17(2)21(18(3)14-16)29(26,27)24-20(15-19-9-6-5-7-10-19)22(25)23-11-8-12-28-4/h5-7,9-10,13-14,20,24H,8,11-12,15H2,1-4H3,(H,23,25)/t20-/m1/s1
InChIKeyQYXNYROMMFGHCM-HXUWFJFHSA-N
MW418.56 g/mol
LogP2.65
Rot. Bonds10

About (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

(2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 92646042) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID92646042
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name(2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-16-13-17(2)21(18(3)14-16)29(26,27)24-20(15-19-9-6-5-7-10-19)22(25)23-11-8-12-28-4/h5-7,9-10,13-14,20,24H,8,11-12,15H2,1-4H3,(H,23,25)/t20-/m1/s1
InChIKeyQYXNYROMMFGHCM-HXUWFJFHSA-N
XLogP2.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
(2S)-N-[(2R)-1-methoxypropan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537871
N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890192
(2S)-3-phenyl-N-prop-2-enyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646026
2-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43871187
(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646025
(2S)-N-(2,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537366
N-[(2R)-4-dimethoxyphosphoryl-3-oxo-1-phenylbutan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 102097356
(2R)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537318
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 30167382
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725
(2R)-N-[(2S)-butan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646021

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 92646042) is (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is COCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is QYXNYROMMFGHCM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16-13-17(2)21(18(3)14-16)29(26,27)24-20(15-19-9-6-5-7-10-19)22(25)23-11-8-12-28-4/h5-7,9-10,13-14,20,24H,8,11-12,15H2,1-4H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
(2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 418.56 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 92646042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).