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

C16H26N2O4S — CID 43890192

IUPACN-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)C(C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O4S/c1-11-9-12(2)15(13(3)10-11)23(20,21)18-14(4)16(19)17-7-6-8-22-5/h9-10,14,18H,6-8H2,1-5H3,(H,17,19)
InChIKeyJBKAYADZQWNLOP-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.43
Rot. Bonds8

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

N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 43890192) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID43890192
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)C(C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O4S/c1-11-9-12(2)15(13(3)10-11)23(20,21)18-14(4)16(19)17-7-6-8-22-5/h9-10,14,18H,6-8H2,1-5H3,(H,17,19)
InChIKeyJBKAYADZQWNLOP-UHFFFAOYSA-N
XLogP1.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.43
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

(2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646042
N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890199
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 8949591
N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890197
N-(2-ethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890217
N-[(Z,3S,6S)-6-(2-methoxyethoxymethoxy)-2-methylhept-4-en-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 23240652
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 43890192) is N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is COCCCNC(=O)C(C)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is JBKAYADZQWNLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-11-9-12(2)15(13(3)10-11)23(20,21)18-14(4)16(19)17-7-6-8-22-5/h9-10,14,18H,6-8H2,1-5H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 342.46 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).