2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide

C23H31N5O4S — CID 42977235

IUPAC2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnn(OC(C)C(=O)NC(C)CCc3ccccc3)c2c1
InChIInChI=1S/C23H31N5O4S/c1-5-27(6-2)33(30,31)20-14-15-21-22(16-20)28(26-25-21)32-18(4)23(29)24-17(3)12-13-19-10-8-7-9-11-19/h7-11,14-18H,5-6,12-13H2,1-4H3,(H,24,29)
InChIKeyNVQOIGJIBXBCHH-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.42
Rot. Bonds11

About 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide

2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide (PubChem CID 42977235) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide
PubChem CID42977235
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC Name2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnn(OC(C)C(=O)NC(C)CCc3ccccc3)c2c1
InChIInChI=1S/C23H31N5O4S/c1-5-27(6-2)33(30,31)20-14-15-21-22(16-20)28(26-25-21)32-18(4)23(29)24-17(3)12-13-19-10-8-7-9-11-19/h7-11,14-18H,5-6,12-13H2,1-4H3,(H,24,29)
InChIKeyNVQOIGJIBXBCHH-UHFFFAOYSA-N
XLogP2.42
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18285374
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 42969787
N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511911
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
CID 5216666
N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
CID 7696323
N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide
CID 7919254
N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511902
4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
CID 6915635
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(diethylsulfamoyl)benzoate
CID 46810080
3-(diethylsulfamoylamino)butylbenzene
CID 86915461
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide (CID 42977235) is 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc2nnn(OC(C)C(=O)NC(C)CCc3ccccc3)c2c1.
What is the InChIKey of 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide?
The InChIKey is NVQOIGJIBXBCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-5-27(6-2)33(30,31)20-14-15-21-22(16-20)28(26-25-21)32-18(4)23(29)24-17(3)12-13-19-10-8-7-9-11-19/h7-11,14-18H,5-6,12-13H2,1-4H3,(H,24,29).
What are the key properties of 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide?
2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide has a molecular weight of 473.60 g/mol, XLogP of 2.42, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 42977235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).