6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide

C21H28N2O3S — CID 42100975

IUPAC6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCCCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-17-11-13-20(14-12-17)27(25,26)23(3)15-6-4-5-10-21(24)22-19-9-7-8-18(2)16-19/h7-9,11-14,16H,4-6,10,15H2,1-3H3,(H,22,24)
InChIKeyLBUSVXVHFNIOBR-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.12
Rot. Bonds9

About 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide

6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide (PubChem CID 42100975) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide.

Molecular Properties

Compound Name6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
PubChem CID42100975
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCCCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-17-11-13-20(14-12-17)27(25,26)23(3)15-6-4-5-10-21(24)22-19-9-7-8-18(2)16-19/h7-9,11-14,16H,4-6,10,15H2,1-3H3,(H,22,24)
InChIKeyLBUSVXVHFNIOBR-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 24617336
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide
CID 8574452
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 2136205
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
CID 60562349
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide?
The IUPAC name of 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide (CID 42100975) is 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide.
What is the SMILES notation for 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide?
The canonical SMILES for 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide is Cc1ccc(S(=O)(=O)N(C)CCCCCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide?
The InChIKey is LBUSVXVHFNIOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-17-11-13-20(14-12-17)27(25,26)23(3)15-6-4-5-10-21(24)22-19-9-7-8-18(2)16-19/h7-9,11-14,16H,4-6,10,15H2,1-3H3,(H,22,24).
What are the key properties of 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide?
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide has a molecular weight of 388.53 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide is sourced from PubChem (CID 42100975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).