N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C20H26N2O3S — CID 43890199

IUPACN-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C(=O)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-14-12-15(2)19(16(3)13-14)26(24,25)22-17(4)20(23)21-11-10-18-8-6-5-7-9-18/h5-9,12-13,17,22H,10-11H2,1-4H3,(H,21,23)
InChIKeyUYDWBUUEEWEOTO-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.64
Rot. Bonds7

About N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 43890199) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID43890199
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C(=O)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-14-12-15(2)19(16(3)13-14)26(24,25)22-17(4)20(23)21-11-10-18-8-6-5-7-9-18/h5-9,12-13,17,22H,10-11H2,1-4H3,(H,21,23)
InChIKeyUYDWBUUEEWEOTO-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890192
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 24537159
(2R)-N-[(2S)-butan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646021
(2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646042
(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646025
(2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537773
(2S)-3-phenyl-N-prop-2-enyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646026
(2S)-N-(2,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537366

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 43890199) is N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NC(C)C(=O)NCCc2ccccc2)c(C)c1.
What is the InChIKey of N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is UYDWBUUEEWEOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-12-15(2)19(16(3)13-14)26(24,25)22-17(4)20(23)21-11-10-18-8-6-5-7-9-18/h5-9,12-13,17,22H,10-11H2,1-4H3,(H,21,23).
What are the key properties of N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 374.51 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).