(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide

C22H30N2O4S — CID 94012461

IUPAC(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C22H30N2O4S/c1-6-20(28-21-15-16(4)9-10-17(21)5)22(25)23-18-11-13-19(14-12-18)29(26,27)24(7-2)8-3/h9-15,20H,6-8H2,1-5H3,(H,23,25)/t20-/m0/s1
InChIKeyRPDUQGCUPOBRGT-FQEVSTJZSA-N
MW418.56 g/mol
LogP4.13
Rot. Bonds9

About (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide

(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide (PubChem CID 94012461) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
PubChem CID94012461
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C22H30N2O4S/c1-6-20(28-21-15-16(4)9-10-17(21)5)22(25)23-18-11-13-19(14-12-18)29(26,27)24(7-2)8-3/h9-15,20H,6-8H2,1-5H3,(H,23,25)/t20-/m0/s1
InChIKeyRPDUQGCUPOBRGT-FQEVSTJZSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43915545
N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 78843000
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677320
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26074925
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94028048
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
(2R)-2-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 9179706
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 94016432
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 17106640

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide (CID 94012461) is (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide is CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide?
The InChIKey is RPDUQGCUPOBRGT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-20(28-21-15-16(4)9-10-17(21)5)22(25)23-18-11-13-19(14-12-18)29(26,27)24(7-2)8-3/h9-15,20H,6-8H2,1-5H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide?
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide has a molecular weight of 418.56 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 94012461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).