(2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide

C22H30N4O5S — CID 92710645

IUPAC(2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCc1c(C)noc1C)N2C(C)=O
InChIInChI=1S/C22H30N4O5S/c1-6-25(7-2)32(29,30)18-8-9-20-17(12-18)13-21(26(20)16(5)27)22(28)23-11-10-19-14(3)24-31-15(19)4/h8-9,12,21H,6-7,10-11,13H2,1-5H3,(H,23,28)/t21-/m0/s1
InChIKeyUQNLYVMFLLOJLJ-NRFANRHFSA-N
MW462.57 g/mol
LogP1.96
Rot. Bonds8

About (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 92710645) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
PubChem CID92710645
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name(2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCc1c(C)noc1C)N2C(C)=O
InChIInChI=1S/C22H30N4O5S/c1-6-25(7-2)32(29,30)18-8-9-20-17(12-18)13-21(26(20)16(5)27)22(28)23-11-10-19-14(3)24-31-15(19)4/h8-9,12,21H,6-7,10-11,13H2,1-5H3,(H,23,28)/t21-/m0/s1
InChIKeyUQNLYVMFLLOJLJ-NRFANRHFSA-N
XLogP1.96
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide (CID 92710645) is (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCc1c(C)noc1C)N2C(C)=O.
What is the InChIKey of (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is UQNLYVMFLLOJLJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-6-25(7-2)32(29,30)18-8-9-20-17(12-18)13-21(26(20)16(5)27)22(28)23-11-10-19-14(3)24-31-15(19)4/h8-9,12,21H,6-7,10-11,13H2,1-5H3,(H,23,28)/t21-/m0/s1.
What are the key properties of (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 92710645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).