N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

C20H26N2O3S — CID 3580359

IUPACN-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-16-8-7-9-17(6-2)19(16)21-20(23)15(4)22-26(24,25)18-12-10-14(3)11-13-18/h7-13,15,22H,5-6H2,1-4H3,(H,21,23)
InChIKeyUURDJCMTCYBHBR-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.43
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 3580359) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID3580359
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-16-8-7-9-17(6-2)19(16)21-20(23)15(4)22-26(24,25)18-12-10-14(3)11-13-18/h7-13,15,22H,5-6H2,1-4H3,(H,21,23)
InChIKeyUURDJCMTCYBHBR-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 50740247
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2950042
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2954412
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 3580359) is N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is CCc1cccc(CC)c1NC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is UURDJCMTCYBHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-16-8-7-9-17(6-2)19(16)21-20(23)15(4)22-26(24,25)18-12-10-14(3)11-13-18/h7-13,15,22H,5-6H2,1-4H3,(H,21,23).
What are the key properties of N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3580359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).