3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide

C14H21NO5S — CID 20649447

IUPAC3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@@H](C=O)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO5S/c1-5-10(2)12(9-16)15-21(17,18)11-6-7-13(19-3)14(8-11)20-4/h6-10,12,15H,5H2,1-4H3/t10-,12+/m0/s1
InChIKeyUXVLHNYDBAFCLZ-CMPLNLGQSA-N
MW315.39 g/mol
LogP1.60
Rot. Bonds8

About 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide

3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide (PubChem CID 20649447) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide
PubChem CID20649447
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@@H](C=O)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO5S/c1-5-10(2)12(9-16)15-21(17,18)11-6-7-13(19-3)14(8-11)20-4/h6-10,12,15H,5H2,1-4H3/t10-,12+/m0/s1
InChIKeyUXVLHNYDBAFCLZ-CMPLNLGQSA-N
XLogP1.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 3970526
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 56725241
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate
CID 18532455
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide (CID 20649447) is 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@@H](C=O)NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide?
The InChIKey is UXVLHNYDBAFCLZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-5-10(2)12(9-16)15-21(17,18)11-6-7-13(19-3)14(8-11)20-4/h6-10,12,15H,5H2,1-4H3/t10-,12+/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide?
3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 20649447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).