2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide

C16H26N2O5S — CID 572222

IUPAC2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C(O)C(C)(C)C(C)O)cc1
InChIInChI=1S/C16H26N2O5S/c1-11-5-7-13(8-6-11)24(22,23)18-10-9-17-15(21)14(20)16(3,4)12(2)19/h5-8,12,14,18-20H,9-10H2,1-4H3,(H,17,21)
InChIKeyHXKZJZDZEAKGPG-UHFFFAOYSA-N
MW358.46 g/mol
LogP0.16
Rot. Bonds8

About 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide

2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide (PubChem CID 572222) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide.

Molecular Properties

Compound Name2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide
PubChem CID572222
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C(O)C(C)(C)C(C)O)cc1
InChIInChI=1S/C16H26N2O5S/c1-11-5-7-13(8-6-11)24(22,23)18-10-9-17-15(21)14(20)16(3,4)12(2)19/h5-8,12,14,18-20H,9-10H2,1-4H3,(H,17,21)
InChIKeyHXKZJZDZEAKGPG-UHFFFAOYSA-N
XLogP0.16
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide 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

(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide
CID 94782590
2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108571600
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
2-[dimethylsulfamoyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100784878
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 32996069
1-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704154
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100780815

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide?
The IUPAC name of 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide (CID 572222) is 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide.
What is the SMILES notation for 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide?
The canonical SMILES for 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)C(O)C(C)(C)C(C)O)cc1.
What is the InChIKey of 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide?
The InChIKey is HXKZJZDZEAKGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-11-5-7-13(8-6-11)24(22,23)18-10-9-17-15(21)14(20)16(3,4)12(2)19/h5-8,12,14,18-20H,9-10H2,1-4H3,(H,17,21).
What are the key properties of 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide?
2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide has a molecular weight of 358.46 g/mol, XLogP of 0.16, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide is sourced from PubChem (CID 572222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).