N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide

C18H25N3O4S — CID 95092633

IUPACN-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N[C@H](C)CC)c1
InChIInChI=1S/C18H25N3O4S/c1-6-12(4)21-26(23,24)16-10-14(9-8-11(16)3)17-15(7-2)20-25-18(17)19-13(5)22/h8-10,12,21H,6-7H2,1-5H3,(H,19,22)/t12-/m1/s1
InChIKeyDCMROWWZNGYDJR-GFCCVEGCSA-N
MW379.48 g/mol
LogP3.25
Rot. Bonds7

About N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide

N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide (PubChem CID 95092633) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
PubChem CID95092633
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N[C@H](C)CC)c1
InChIInChI=1S/C18H25N3O4S/c1-6-12(4)21-26(23,24)16-10-14(9-8-11(16)3)17-15(7-2)20-25-18(17)19-13(5)22/h8-10,12,21H,6-7H2,1-5H3,(H,19,22)/t12-/m1/s1
InChIKeyDCMROWWZNGYDJR-GFCCVEGCSA-N
XLogP3.25
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide (CID 95092633) is N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide is CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N[C@H](C)CC)c1.
What is the InChIKey of N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is DCMROWWZNGYDJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-6-12(4)21-26(23,24)16-10-14(9-8-11(16)3)17-15(7-2)20-25-18(17)19-13(5)22/h8-10,12,21H,6-7H2,1-5H3,(H,19,22)/t12-/m1/s1.
What are the key properties of N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 379.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 95092633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).