6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide

C16H24N2O4S — CID 47052057

IUPAC6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
SMILESCC(=O)NCCCCCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H24N2O4S/c1-12-8-9-13(2)15(11-12)23(21,22)18-16(20)7-5-4-6-10-17-14(3)19/h8-9,11H,4-7,10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUTODRAMWTRVXGP-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.80
Rot. Bonds8

About 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide

6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide (PubChem CID 47052057) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide.

Molecular Properties

Compound Name6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
PubChem CID47052057
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
SMILESCC(=O)NCCCCCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H24N2O4S/c1-12-8-9-13(2)15(11-12)23(21,22)18-16(20)7-5-4-6-10-17-14(3)19/h8-9,11H,4-7,10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUTODRAMWTRVXGP-UHFFFAOYSA-N
XLogP1.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-N-(5-cyano-2-methylphenyl)sulfonylbutanamide
CID 99808339
N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
CID 47269187
N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
CID 47269188
N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide
CID 67788788
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide
CID 146132180
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
6-acetamido-N-(4-methyl-2-pyridinyl)hexanamide
CID 47110680
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide?
The IUPAC name of 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide (CID 47052057) is 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide.
What is the SMILES notation for 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide?
The canonical SMILES for 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide is CC(=O)NCCCCCC(=O)NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide?
The InChIKey is UTODRAMWTRVXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-8-9-13(2)15(11-12)23(21,22)18-16(20)7-5-4-6-10-17-14(3)19/h8-9,11H,4-7,10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide?
6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide has a molecular weight of 340.45 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide is sourced from PubChem (CID 47052057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).