(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide

C19H32N2O4S — CID 7299565

IUPAC(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC
InChIInChI=1S/C19H32N2O4S/c1-6-10-11-15(7-2)19(22)20-17-14-16(12-13-18(17)25-5)26(23,24)21(8-3)9-4/h12-15H,6-11H2,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyUBZCRHVWCRGFKR-HNNXBMFYSA-N
MW384.54 g/mol
LogP3.88
Rot. Bonds11

About (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide

(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide (PubChem CID 7299565) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide.

Molecular Properties

Compound Name(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide
PubChem CID7299565
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC Name(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC
InChIInChI=1S/C19H32N2O4S/c1-6-10-11-15(7-2)19(22)20-17-14-16(12-13-18(17)25-5)26(23,24)21(8-3)9-4/h12-15H,6-11H2,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyUBZCRHVWCRGFKR-HNNXBMFYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
(2R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpentanamide
CID 8838802
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)propanamide
CID 53266077
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide
CID 43000311
N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide
CID 139792961
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide?
The IUPAC name of (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide (CID 7299565) is (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide.
What is the SMILES notation for (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide?
The canonical SMILES for (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide is CCCC[C@H](CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC.
What is the InChIKey of (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide?
The InChIKey is UBZCRHVWCRGFKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-6-10-11-15(7-2)19(22)20-17-14-16(12-13-18(17)25-5)26(23,24)21(8-3)9-4/h12-15H,6-11H2,1-5H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide?
(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide has a molecular weight of 384.54 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide is sourced from PubChem (CID 7299565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).