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

C21H28N2O3S — CID 43890284

IUPACN-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(NC(=O)C(C)NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-12-8-14(3)19(15(4)9-12)22-21(24)18(7)23-27(25,26)20-16(5)10-13(2)11-17(20)6/h8-11,18,23H,1-7H3,(H,22,24)
InChIKeyLNVZGTAATPKMNK-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.84
Rot. Bonds5

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

N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 43890284) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID43890284
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(NC(=O)C(C)NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-12-8-14(3)19(15(4)9-12)22-21(24)18(7)23-27(25,26)20-16(5)10-13(2)11-17(20)6/h8-11,18,23H,1-7H3,(H,22,24)
InChIKeyLNVZGTAATPKMNK-UHFFFAOYSA-N
XLogP3.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 4657987
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
N-(2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890221
N-(2-ethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890217
N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890225
N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890192
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890288
N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890199
N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890197
2-anilino-N-(2,4,6-trimethylphenyl)propanamide
CID 78666778
(2R)-2-[(2-methoxy-4,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 98026814
(2S)-2-[(2-methoxy-4,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 98026813

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 43890284) is N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(NC(=O)C(C)NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is LNVZGTAATPKMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-12-8-14(3)19(15(4)9-12)22-21(24)18(7)23-27(25,26)20-16(5)10-13(2)11-17(20)6/h8-11,18,23H,1-7H3,(H,22,24).
What are the key properties of N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 388.53 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).