N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide

C17H28N2O4S — CID 3243196

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C17H28N2O4S/c1-14-8-10-15(11-9-14)24(22,23)18-12-6-4-5-7-16(21)19-17(2,3)13-20/h8-11,18,20H,4-7,12-13H2,1-3H3,(H,19,21)
InChIKeyHSIVQLRZTWIPPC-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.72
Rot. Bonds10

About N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide

N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide (PubChem CID 3243196) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide
PubChem CID3243196
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C17H28N2O4S/c1-14-8-10-15(11-9-14)24(22,23)18-12-6-4-5-7-16(21)19-17(2,3)13-20/h8-11,18,20H,4-7,12-13H2,1-3H3,(H,19,21)
InChIKeyHSIVQLRZTWIPPC-UHFFFAOYSA-N
XLogP1.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CID 44146350
N-tert-Butyl-4-(3-morpholin-4-yl-3-oxo-propyl)-benzenesulfonamide
CID 651639
N-(tert-butyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butanamide
CID 2136205
N-cyclopentyl-3-{4-[(ethylamino)sulfonyl]phenyl}propanamide
CID 2222560
N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 2209143
(2S,3R)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-tetradecylbutanamide
CID 90112015
N-isopropyl-4-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 970201
N-(2-methoxyethyl)-6-{[(4-methylphenyl)sulfonyl]amino}hexanamide
CID 3242848
4-(3-Morpholin-4-yl-3-oxo-propyl)-N-propyl-benzenesulfonamide
CID 654827
N-methyl-6-{[(4-methylphenyl)sulfonyl]amino}hexanamide
CID 1819908
N-(1-hydroxy-2-methylpropan-2-yl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butanamide
CID 2138696

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide (CID 3243196) is N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide is Cc1ccc(S(=O)(=O)NCCCCCC(=O)NC(C)(C)CO)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The InChIKey is HSIVQLRZTWIPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-14-8-10-15(11-9-14)24(22,23)18-12-6-4-5-7-16(21)19-17(2,3)13-20/h8-11,18,20H,4-7,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide has a molecular weight of 356.49 g/mol, XLogP of 1.72, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide is sourced from PubChem (CID 3243196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).