4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide

C13H21NO4S — CID 37478664

IUPAC4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C
InChIInChI=1S/C13H21NO4S/c1-5-18-13-7-6-12(8-10(13)2)19(15,16)14-11(3)9-17-4/h6-8,11,14H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyXZCGQFBLXPJKIP-NSHDSACASA-N
MW287.38 g/mol
LogP1.71
Rot. Bonds7

About 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide

4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide (PubChem CID 37478664) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
PubChem CID37478664
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C
InChIInChI=1S/C13H21NO4S/c1-5-18-13-7-6-12(8-10(13)2)19(15,16)14-11(3)9-17-4/h6-8,11,14H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyXZCGQFBLXPJKIP-NSHDSACASA-N
XLogP1.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanoic acid
CID 6462452
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 55639102
N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
CID 63732823
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
4-bromo-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
CID 42998830
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide
CID 45100411

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide (CID 37478664) is 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C.
What is the InChIKey of 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide?
The InChIKey is XZCGQFBLXPJKIP-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO4S/c1-5-18-13-7-6-12(8-10(13)2)19(15,16)14-11(3)9-17-4/h6-8,11,14H,5,9H2,1-4H3/t11-/m0/s1.
What are the key properties of 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide?
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 37478664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).